3-(3-methoxybenzenecarboximidoyl)benzonitrile

C15H12N2O — CID 175142380

IUPAC3-(3-methoxybenzenecarboximidoyl)benzonitrile
SMILES[H]/N=C(\c1cccc(C#N)c1)c1cccc(OC)c1
InChIInChI=1S/C15H12N2O/c1-18-14-7-3-6-13(9-14)15(17)12-5-2-4-11(8-12)10-16/h2-9,17H,1H3/b17-15+
InChIKeyCULQMUFXJXFIJC-BMRADRMJSA-N
MW236.27 g/mol
LogP2.98
Rot. Bonds3

About 3-(3-methoxybenzenecarboximidoyl)benzonitrile

3-(3-methoxybenzenecarboximidoyl)benzonitrile (PubChem CID 175142380) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(3-methoxybenzenecarboximidoyl)benzonitrile.

Molecular Properties

Compound Name3-(3-methoxybenzenecarboximidoyl)benzonitrile
PubChem CID175142380
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(3-methoxybenzenecarboximidoyl)benzonitrile
SMILES[H]/N=C(\c1cccc(C#N)c1)c1cccc(OC)c1
InChIInChI=1S/C15H12N2O/c1-18-14-7-3-6-13(9-14)15(17)12-5-2-4-11(8-12)10-16/h2-9,17H,1H3/b17-15+
InChIKeyCULQMUFXJXFIJC-BMRADRMJSA-N
XLogP2.98
TPSA56.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile
CID 175145195
3-(3-methoxyphenyl)benzonitrile
CID 4189594
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
3-methoxybenzonitrile;thiadiaziridine 1,1-dioxide
CID 174965315
3-methoxy-N,N-dimethylbenzenecarboximidamide
CID 63182019
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
3-cyanobenzenecarboximidamide;propan-2-ol;hydrochloride
CID 174976207
(4-cyanophenyl) 3-methoxybenzoate
CID 532539
3-cyano-N-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 99829830
2-[2-(3-cyanophenyl)-2-oxoethyl]-5-methoxybenzoic acid
CID 150164902

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxybenzenecarboximidoyl)benzonitrile?
The IUPAC name of 3-(3-methoxybenzenecarboximidoyl)benzonitrile (CID 175142380) is 3-(3-methoxybenzenecarboximidoyl)benzonitrile.
What is the SMILES notation for 3-(3-methoxybenzenecarboximidoyl)benzonitrile?
The canonical SMILES for 3-(3-methoxybenzenecarboximidoyl)benzonitrile is [H]/N=C(\c1cccc(C#N)c1)c1cccc(OC)c1.
What is the InChIKey of 3-(3-methoxybenzenecarboximidoyl)benzonitrile?
The InChIKey is CULQMUFXJXFIJC-BMRADRMJSA-N. The full InChI is InChI=1S/C15H12N2O/c1-18-14-7-3-6-13(9-14)15(17)12-5-2-4-11(8-12)10-16/h2-9,17H,1H3/b17-15+.
What are the key properties of 3-(3-methoxybenzenecarboximidoyl)benzonitrile?
3-(3-methoxybenzenecarboximidoyl)benzonitrile has a molecular weight of 236.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxybenzenecarboximidoyl)benzonitrile is sourced from PubChem (CID 175142380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).