Text Search
Structure Search

2-oxo-1,3-dihydroindole-7-carbonitrile

2-oxo-1,3-dihydroindole-7-carbonitrile

CAS: 380427-40-7

Formula: C9H6N2O

SMILES: O=C1CC2=C(N1)C(=CC=C2)C#N

IUPAC: 2-oxo-2,3-dihydro-1H-indole-7-carbonitrile

InChI: InChI=1S/C9H6N2O/c10-5-7-3-1-2-6-4-8(12)11-9(6)7/h1-3H,4H2,(H,11,12)

Composition: C (68.35%), H (3.82%), N (17.71%), O (10.12%)

Molar Mass: 158.16

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 158.048012821
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SYZZMPZKZBRDNH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.31
Topological Polar Surface Area 52.89
Polarizability 16.31
Ring Count 2
Rotatable Bond Count 0

Suppliers

No suppliers are currently stocking this item.