(Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile

C15H14N2O — CID 143449898

IUPAC(Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/C2=CCCC=N2)cc1
InChIInChI=1S/C15H14N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h4-10H,2-3H2,1H3/b13-10+
InChIKeyNONFPZPFLNKCIL-JLHYYAGUSA-N
MW238.29 g/mol
LogP3.35
Rot. Bonds3

About (Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile

(Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile (PubChem CID 143449898) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile
PubChem CID143449898
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/C2=CCCC=N2)cc1
InChIInChI=1S/C15H14N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h4-10H,2-3H2,1H3/b13-10+
InChIKeyNONFPZPFLNKCIL-JLHYYAGUSA-N
XLogP3.35
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.35
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

(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
(E)-3-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 22302618
(Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 2421211
(Z)-2-[4-[(Z)-1-cyano-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 6005345
2-[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenoxy]acetic acid
CID 92939823
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 124669632
[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl] 4-methoxybenzoate
CID 59742607
(Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile
CID 129095571
(Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
CID 132937795
(E)-3-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374798
(Z)-2-[4-[(Z)-1-cyano-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(N-(4-methoxyphenyl)anilino)phenyl]prop-2-enenitrile;methylsulfinylmethane
CID 139204005

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile (CID 143449898) is (Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile is COc1ccc(/C(C#N)=C/C2=CCCC=N2)cc1.
What is the InChIKey of (Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile?
The InChIKey is NONFPZPFLNKCIL-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H14N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h4-10H,2-3H2,1H3/b13-10+.
What are the key properties of (Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile?
(Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile has a molecular weight of 238.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 143449898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).