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(1R,6S)-6-[(pyridin-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

(1R,6S)-6-[(pyridin-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

CAS: 432001-25-7

Formula: C13H14N2O3

SMILES: OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC1=CC=CN=C1

IUPAC: (1R,6S)-6-[(pyridin-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

InChI: InChI=1S/C13H14N2O3/c16-12(15-9-4-3-7-14-8-9)10-5-1-2-6-11(10)13(17)18/h1-4,7-8,10-11H,5-6H2,(H,15,16)(H,17,18)/t10-,11+/m0/s1

Composition: C (63.40%), H (5.73%), N (11.38%), O (19.49%)

Molar Mass: 246.266

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 246.100442319
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LXJRXEHUFVTCHA-WDEREUQCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.32
Topological Polar Surface Area 79.29
Polarizability 24.93
Ring Count 2
Rotatable Bond Count 3

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