8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile

C12H9NO — CID 10261777

IUPAC8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile
SMILESN#CC1=Cc2ccccc2CC(=O)C1
InChIInChI=1S/C12H9NO/c13-8-9-5-10-3-1-2-4-11(10)7-12(14)6-9/h1-5H,6-7H2
InChIKeyGXAQVMAGLWZNAZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.11
Rot. Bonds

About 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile

8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile (PubChem CID 10261777) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile.

Molecular Properties

Compound Name8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile
PubChem CID10261777
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile
SMILESN#CC1=Cc2ccccc2CC(=O)C1
InChIInChI=1S/C12H9NO/c13-8-9-5-10-3-1-2-4-11(10)7-12(14)6-9/h1-5H,6-7H2
InChIKeyGXAQVMAGLWZNAZ-UHFFFAOYSA-N
XLogP2.11
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-inden-2-ylsilane
CID 137327560
ethane;tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-one
CID 91439303
6-methyl-1H-indene-2-carbonitrile
CID 142578466
3-acetyl-1H-naphthalen-2-one
CID 143739602
tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 152766237
CID 143131255
CID 143131255
N-(1H-inden-2-yl)formamide
CID 59823848
3-methyl-1H-naphthalen-2-one;molecular hydrogen
CID 145302214
3-oxo-2,4-dihydro-1H-naphthalene-2-carbonitrile
CID 11579196
ethane;2-methyl-1H-indene
CID 54388135
1,3-dihydroinden-2-one;1-(1H-inden-2-yl)pyrrolidine;pyrrolidine
CID 158975642
1H-inden-2-yl(pyrrolidin-1-yl)methanone
CID 166438542

Frequently Asked Questions

What is the IUPAC name of 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile?
The IUPAC name of 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile (CID 10261777) is 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile.
What is the SMILES notation for 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile?
The canonical SMILES for 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile is N#CC1=Cc2ccccc2CC(=O)C1.
What is the InChIKey of 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile?
The InChIKey is GXAQVMAGLWZNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c13-8-9-5-10-3-1-2-4-11(10)7-12(14)6-9/h1-5H,6-7H2.
What are the key properties of 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile?
8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-7,9-dihydrobenzo[7]annulene-6-carbonitrile is sourced from PubChem (CID 10261777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).