4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one

C12H12N2O — CID 145140027

IUPAC4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one
SMILESC=C/C=C(\N=C\C=C)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H12N2O/c1-3-5-11(13-7-4-2)10-6-8-14-12(15)9-10/h3-9H,1-2H2,(H,14,15)/b11-5-,13-7+
InChIKeyBWDAGRISMSZFKL-BJRDOJSTSA-N
MW200.24 g/mol
LogP2.16
Rot. Bonds4

About 4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one

4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one (PubChem CID 145140027) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one
PubChem CID145140027
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one
SMILESC=C/C=C(\N=C\C=C)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H12N2O/c1-3-5-11(13-7-4-2)10-6-8-14-12(15)9-10/h3-9H,1-2H2,(H,14,15)/b11-5-,13-7+
InChIKeyBWDAGRISMSZFKL-BJRDOJSTSA-N
XLogP2.16
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 57421637
6-(6-oxo-1H-pyridin-3-yl)-1H-pyrimidin-2-one
CID 20399239
6-(6-oxo-1H-pyridin-3-yl)-1H-pyrazin-2-one
CID 20399316
7-Bromo-3-hydroxy-5-azaisoquinoline
CID 22268238
7-Bromo-3-hydroxy-8-azaisoquinoline
CID 22268257
2-(1,4-Benzodiazepin-2-ylidene)acetamide
CID 54264308
2H-2,7-naphthyridin-3-one
CID 57421635
7H-1,7-naphthyridin-6-one
CID 57421640
6H-1,6-naphthyridin-7-one
CID 57421642
(2Z)-2-(1,4-benzodiazepin-2-ylidene)acetamide
CID 57449244
3-(3H-pyrrol-5-yl)-1H-pyridin-2-one
CID 58943847
4-(2-aminoprop-2-enyl)-1H-pyridin-2-one
CID 68410287

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one (CID 145140027) is 4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one is C=C/C=C(\N=C\C=C)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one?
The InChIKey is BWDAGRISMSZFKL-BJRDOJSTSA-N. The full InChI is InChI=1S/C12H12N2O/c1-3-5-11(13-7-4-2)10-6-8-14-12(15)9-10/h3-9H,1-2H2,(H,14,15)/b11-5-,13-7+.
What are the key properties of 4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one?
4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one has a molecular weight of 200.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-1-(prop-2-enylideneamino)buta-1,3-dienyl]-1H-pyridin-2-one is sourced from PubChem (CID 145140027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).