(Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile

C15H12N2O — CID 6164010

IUPAC(Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/c2ccccn2)cc1
InChIInChI=1S/C15H12N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h2-10H,1H3/b13-10+
InChIKeyCJMIMAFVXQSAKG-JLHYYAGUSA-N
MW236.27 g/mol
LogP3.15
Rot. Bonds3

About (Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile

(Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile (PubChem CID 6164010) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is (Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile
PubChem CID6164010
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name(Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/c2ccccn2)cc1
InChIInChI=1S/C15H12N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h2-10H,1H3/b13-10+
InChIKeyCJMIMAFVXQSAKG-JLHYYAGUSA-N
XLogP3.15
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
6-Methoxyquinoline
CID 14860
2-Phenoxynicotinonitrile
CID 84242
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
Ro 31-6930
CID 3036546
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
4-Methoxyquinoline
CID 521938
RG 13022
CID 5468216
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile (CID 6164010) is (Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile is COc1ccc(/C(C#N)=C/c2ccccn2)cc1.
What is the InChIKey of (Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile?
The InChIKey is CJMIMAFVXQSAKG-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H12N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h2-10H,1H3/b13-10+.
What are the key properties of (Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile?
(Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile has a molecular weight of 236.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxyphenyl)-3-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 6164010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).