azulene-6-carbonitrile

C11H7N — CID 91533837

IUPACazulene-6-carbonitrile
SMILESN#Cc1ccc2cccc-2cc1
InChIInChI=1S/C11H7N/c12-8-9-4-6-10-2-1-3-11(10)7-5-9/h1-7H
InChIKeyDZQSGPBWEZDPRN-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.66
Rot. Bonds

About azulene-6-carbonitrile

azulene-6-carbonitrile (PubChem CID 91533837) has the molecular formula C11H7N and a molecular weight of 153.18 g/mol. Its IUPAC name is azulene-6-carbonitrile.

Molecular Properties

Compound Nameazulene-6-carbonitrile
PubChem CID91533837
Molecular FormulaC11H7N
Molecular Weight153.18 g/mol
Exact Mass153.06
IUPAC Nameazulene-6-carbonitrile
SMILESN#Cc1ccc2cccc-2cc1
InChIInChI=1S/C11H7N/c12-8-9-4-6-10-2-1-3-11(10)7-5-9/h1-7H
InChIKeyDZQSGPBWEZDPRN-UHFFFAOYSA-N
XLogP2.66
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze azulene-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

4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(4-cyanophenyl)-(4-phenylphenyl)methyl]benzonitrile
CID 150609775
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-(4-phosphanylphenyl)benzonitrile
CID 154518680
4-[4-[4-[4-(4-cyanophenyl)phenyl]buta-1,3-diynyl]phenyl]benzonitrile
CID 71530971
4-(2,6-dihydroxyphenyl)benzonitrile
CID 175279550
4-[2,3-bis(4-cyanophenyl)phenyl]benzonitrile
CID 66870651
2-bromo-4-[3-(4-cyanophenyl)phenyl]benzonitrile
CID 142732591
4-[3-[3-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 10496132
4-[3-[12-[3-(4-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile
CID 89036157
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757

Frequently Asked Questions

What is the IUPAC name of azulene-6-carbonitrile?
The IUPAC name of azulene-6-carbonitrile (CID 91533837) is azulene-6-carbonitrile.
What is the SMILES notation for azulene-6-carbonitrile?
The canonical SMILES for azulene-6-carbonitrile is N#Cc1ccc2cccc-2cc1.
What is the InChIKey of azulene-6-carbonitrile?
The InChIKey is DZQSGPBWEZDPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N/c12-8-9-4-6-10-2-1-3-11(10)7-5-9/h1-7H.
What are the key properties of azulene-6-carbonitrile?
azulene-6-carbonitrile has a molecular weight of 153.18 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azulene-6-carbonitrile is sourced from PubChem (CID 91533837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).