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3,3-dimethyl-1,4-dihydroquinoxalin-2-one

3,3-dimethyl-1,4-dihydroquinoxalin-2-one

CAS: 80636-30-2

Formula: C10H12N2O

SMILES: CC1(C)NC2=C(NC1=O)C=CC=C2

IUPAC: 3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one

InChI: InChI=1S/C10H12N2O/c1-10(2)9(13)11-7-5-3-4-6-8(7)12-10/h3-6,12H,1-2H3,(H,11,13)

Composition: C (68.16%), H (6.86%), N (15.90%), O (9.08%)

Molar Mass: 176.219

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 176.094963014
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey RDKNTOVJVFYGPA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.76
Topological Polar Surface Area 41.13
Polarizability 19.3
Ring Count 2
Rotatable Bond Count 0

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