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

C17H16N2 — CID 67554856

IUPAC(Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile
SMILESCCc1ccc(/C=C(\C#N)c2cccnc2)cc1C
InChIInChI=1S/C17H16N2/c1-3-15-7-6-14(9-13(15)2)10-17(11-18)16-5-4-8-19-12-16/h4-10,12H,3H2,1-2H3/b17-10+
InChIKeyCVYBFPDZPWQRAP-LICLKQGHSA-N
MW248.33 g/mol
LogP4.02
Rot. Bonds3

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

(Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile (PubChem CID 67554856) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile
PubChem CID67554856
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile
SMILESCCc1ccc(/C=C(\C#N)c2cccnc2)cc1C
InChIInChI=1S/C17H16N2/c1-3-15-7-6-14(9-13(15)2)10-17(11-18)16-5-4-8-19-12-16/h4-10,12H,3H2,1-2H3/b17-10+
InChIKeyCVYBFPDZPWQRAP-LICLKQGHSA-N
XLogP4.02
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.02
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

(Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 5468216
(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile
CID 19707387
3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 91475354
[4-[(E)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 39114515
(Z)-3-(3-methoxy-4-methyl-5-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 144953624
[4-[(E)-2-(3-chlorophenyl)-2-cyanoethenyl]phenyl] pyridine-3-carboxylate
CID 39113977
(E)-3-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-2-phenylprop-2-enenitrile
CID 921356
(Z)-3-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-2-(3-fluorophenyl)prop-2-enenitrile
CID 1252409
(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
CID 10945343
5-[(Z)-2-cyano-2-phenylethenyl]-2-ethoxybenzoic acid
CID 6210247
(Z)-3-(3,4-dihydroxyphenyl)-2-phenylprop-2-enenitrile
CID 22080485
3-(4-methoxy-3-methylphenyl)-2-(3-nitrophenyl)prop-2-enenitrile
CID 4273200

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile (CID 67554856) is (Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile is CCc1ccc(/C=C(\C#N)c2cccnc2)cc1C.
What is the InChIKey of (Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile?
The InChIKey is CVYBFPDZPWQRAP-LICLKQGHSA-N. The full InChI is InChI=1S/C17H16N2/c1-3-15-7-6-14(9-13(15)2)10-17(11-18)16-5-4-8-19-12-16/h4-10,12H,3H2,1-2H3/b17-10+.
What are the key properties of (Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile?
(Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile has a molecular weight of 248.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-ethyl-3-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 67554856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).