4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile

C18H18N2O2 — CID 82152044

IUPAC4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile
SMILESCOc1ccc(/C=C/c2ccn(CCCC#N)c(=O)c2)cc1
InChIInChI=1S/C18H18N2O2/c1-22-17-8-6-15(7-9-17)4-5-16-10-13-20(18(21)14-16)12-3-2-11-19/h4-10,13-14H,2-3,12H2,1H3/b5-4+
InChIKeyLOVSZKANPXDYCN-SNAWJCMRSA-N
MW294.35 g/mol
LogP3.33
Rot. Bonds6

About 4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile

4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile (PubChem CID 82152044) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile.

Molecular Properties

Compound Name4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile
PubChem CID82152044
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile
SMILESCOc1ccc(/C=C/c2ccn(CCCC#N)c(=O)c2)cc1
InChIInChI=1S/C18H18N2O2/c1-22-17-8-6-15(7-9-17)4-5-16-10-13-20(18(21)14-16)12-3-2-11-19/h4-10,13-14H,2-3,12H2,1H3/b5-4+
InChIKeyLOVSZKANPXDYCN-SNAWJCMRSA-N
XLogP3.33
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965
4-(1-oxo-6-propoxyisoquinolin-2-yl)butanenitrile
CID 82152034
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile
CID 82143768
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
CID 82063295
4-(6-tert-butyl-1-oxoisoquinolin-2-yl)butanenitrile
CID 82152030
3-(6-butoxy-1-oxoisoquinolin-2-yl)propanenitrile
CID 82143590
4-(6-methoxy-2,3-dioxoindol-1-yl)butanenitrile
CID 61356756
4-(5-methoxy-2,3-dioxoindol-1-yl)butanenitrile
CID 61356270
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
CID 82063254
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981
1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
CID 82063293

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile?
The IUPAC name of 4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile (CID 82152044) is 4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile.
What is the SMILES notation for 4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile?
The canonical SMILES for 4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile is COc1ccc(/C=C/c2ccn(CCCC#N)c(=O)c2)cc1.
What is the InChIKey of 4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile?
The InChIKey is LOVSZKANPXDYCN-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-17-8-6-15(7-9-17)4-5-16-10-13-20(18(21)14-16)12-3-2-11-19/h4-10,13-14H,2-3,12H2,1H3/b5-4+.
What are the key properties of 4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile?
4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile has a molecular weight of 294.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile is sourced from PubChem (CID 82152044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).