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

C15H12N2 — CID 12037398

IUPAC(Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile
SMILESCc1ccc(/C(=C/C#N)c2cccnc2)cc1
InChIInChI=1S/C15H12N2/c1-12-4-6-13(7-5-12)15(8-9-16)14-3-2-10-17-11-14/h2-8,10-11H,1H3/b15-8-
InChIKeyIYHCGSLZOBDROP-NVNXTCNLSA-N
MW220.27 g/mol
LogP3.35
Rot. Bonds2

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

(Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile (PubChem CID 12037398) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile
PubChem CID12037398
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name(Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile
SMILESCc1ccc(/C(=C/C#N)c2cccnc2)cc1
InChIInChI=1S/C15H12N2/c1-12-4-6-13(7-5-12)15(8-9-16)14-3-2-10-17-11-14/h2-8,10-11H,1H3/b15-8-
InChIKeyIYHCGSLZOBDROP-NVNXTCNLSA-N
XLogP3.35
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-3-pyridin-3-ylprop-2-enenitrile
CID 66602387
3-chloro-3-pyridin-3-ylprop-2-enenitrile
CID 74864132
benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
(E)-3-aminosulfanyl-3-(4-methylphenyl)prop-2-enenitrile
CID 167292672
2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile
CID 22308718
(Z)-3-iodo-3-(4-methylphenyl)prop-2-enenitrile
CID 167052408
3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 91475354
N-(2-cyanoethyl)-N-[(E)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 134113032
bromo(trifluoro)methane;3,3-diphenylprop-2-enenitrile
CID 174367597
(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099582
(Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 11291351
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile (CID 12037398) is (Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile is Cc1ccc(/C(=C/C#N)c2cccnc2)cc1.
What is the InChIKey of (Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile?
The InChIKey is IYHCGSLZOBDROP-NVNXTCNLSA-N. The full InChI is InChI=1S/C15H12N2/c1-12-4-6-13(7-5-12)15(8-9-16)14-3-2-10-17-11-14/h2-8,10-11H,1H3/b15-8-.
What are the key properties of (Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile?
(Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile has a molecular weight of 220.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methylphenyl)-3-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 12037398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).