(3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane

C13H24N2O — CID 143818570

IUPAC(3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane
SMILESC/C=c1/ccn(N)c(=O)/c1=C/C.CC.CC
InChIInChI=1S/C9H12N2O.2C2H6/c1-3-7-5-6-11(10)9(12)8(7)4-2;2*1-2/h3-6H,10H2,1-2H3;2*1-2H3/b7-3-,8-4+;;
InChIKeyFQCNJXARISLPLA-IRGDVNFTSA-N
MW224.35 g/mol
LogP1.22
Rot. Bonds

About (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane

(3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane (PubChem CID 143818570) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane.

Molecular Properties

Compound Name(3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane
PubChem CID143818570
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane
SMILESC/C=c1/ccn(N)c(=O)/c1=C/C.CC.CC
InChIInChI=1S/C9H12N2O.2C2H6/c1-3-7-5-6-11(10)9(12)8(7)4-2;2*1-2/h3-6H,10H2,1-2H3;2*1-2H3/b7-3-,8-4+;;
InChIKeyFQCNJXARISLPLA-IRGDVNFTSA-N
XLogP1.22
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one
CID 142874632
ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one
CID 142823520
(5E,6E)-3-amino-6-ethylidene-2-[(3E)-hexa-1,3,5-trien-3-yl]-5-prop-2-enylidenepyrimidin-4-one;ethane
CID 143686420
1,3-dimethylpyridin-2-one;ethane
CID 91539152
2-amino-1-oxoisoquinoline-6-carboxylic acid
CID 118527683
(E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanamine
CID 88997175
(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
CID 144634156
(5Z,6E)-5,6-di(ethylidene)-4-methylpyridin-2-one
CID 139296680
(6E)-3-(5-amino-2-methylphenyl)-5-ethylidene-1-methyl-6-(2-methylprop-2-enylidene)pyridin-2-one
CID 143852434
(3Z,4E)-9-ethyl-3,4-di(ethylidene)carbazole
CID 145265291
2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one
CID 137095527
3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine
CID 142983953

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane?
The IUPAC name of (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane (CID 143818570) is (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane.
What is the SMILES notation for (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane?
The canonical SMILES for (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane is C/C=c1/ccn(N)c(=O)/c1=C/C.CC.CC.
What is the InChIKey of (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane?
The InChIKey is FQCNJXARISLPLA-IRGDVNFTSA-N. The full InChI is InChI=1S/C9H12N2O.2C2H6/c1-3-7-5-6-11(10)9(12)8(7)4-2;2*1-2/h3-6H,10H2,1-2H3;2*1-2H3/b7-3-,8-4+;;.
What are the key properties of (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane?
(3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane has a molecular weight of 224.35 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-1-amino-3,4-di(ethylidene)pyridin-2-one;ethane is sourced from PubChem (CID 143818570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).