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(1R,5S,6S)-6-(3-aminophenyl)-6-ethyl-3-(prop-2-en-1-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

(1R,5S,6S)-6-(3-aminophenyl)-6-ethyl-3-(prop-2-en-1-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

CAS: 2102411-93-6

Formula: C16H18N2O2

SMILES: CC[C@@]1([C@H]2[C@@H]1C(=O)N(CC=C)C2=O)C1=CC=CC(N)=C1

IUPAC: (1R,5S,6S)-6-(3-aminophenyl)-6-ethyl-3-(prop-2-en-1-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

InChI: InChI=1S/C16H18N2O2/c1-3-8-18-14(19)12-13(15(18)20)16(12,4-2)10-6-5-7-11(17)9-10/h3,5-7,9,12-13H,1,4,8,17H2,2H3/t12-,13+,16-

Composition: C (71.09%), H (6.71%), N (10.36%), O (11.84%)

Molar Mass: 270.332

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 270.136827828
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MSVXGXPQMMLPPJ-YWVIFJGQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.51
Topological Polar Surface Area 63.4
Polarizability 29.46
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 2102411-93-6 $408.24-$1,428.84$408.24$714.42$1,428.84
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