ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid

C14H19NO2 — CID 144582184

IUPACethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid
SMILESC=C/C=c1/ncc(C(=O)O)c/c1=C/CC.CC
InChIInChI=1S/C12H13NO2.C2H6/c1-3-5-9-7-10(12(14)15)8-13-11(9)6-4-2;1-2/h4-8H,2-3H2,1H3,(H,14,15);1-2H3/b9-5-,11-6+;
InChIKeyISTMJTGQHNZJCY-VHHYKGRWSA-N
MW233.31 g/mol
LogP1.96
Rot. Bonds3

About ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid

ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid (PubChem CID 144582184) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid
PubChem CID144582184
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid
SMILESC=C/C=c1/ncc(C(=O)O)c/c1=C/CC.CC
InChIInChI=1S/C12H13NO2.C2H6/c1-3-5-9-7-10(12(14)15)8-13-11(9)6-4-2;1-2/h4-8H,2-3H2,1H3,(H,14,15);1-2H3/b9-5-,11-6+;
InChIKeyISTMJTGQHNZJCY-VHHYKGRWSA-N
XLogP1.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid 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

(2E)-2-fluoro-4-[[(2Z,4Z)-2,3,5-trimethylhepta-2,4,6-trienylidene]amino]penta-2,4-dienoic acid
CID 123507515
9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid
CID 91339821
2-(3-methyl-3H-pyridin-2-ylidene)but-3-enoic acid
CID 123566270
Methyl 5,6-di(ethylidene)pyridine-3-carboxylate
CID 123728530
2-cyclohepta-1,3,6-trien-1-yl-4H-azepine-6-carboxylic acid
CID 123936713
(3E)-3-[(Z)-hex-2-enylidene]-4-hydroxy-2H-pyridine-5-carboxylic acid
CID 137180123
2-(2H-pyridin-3-ylidene)propanoic acid
CID 140510678
(2E)-2-[(E)-1-[[(6E)-2-amino-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methylideneamino]prop-1-enyl]penta-2,4-dienoic acid
CID 142090181
3,11-Diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,12,14-heptaene-5-carboxylic acid
CID 142344122
(2E,4E)-3,4-dimethyl-2-(methyliminomethyl)hepta-2,4-dienoic acid
CID 142397617
ethane;ethyl (5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridine-3-carboxylate
CID 142929711
3-Methylidene-4-prop-1-en-2-yliminocyclohexa-1,5-diene-1-carboxylic acid
CID 142997460

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid?
The IUPAC name of ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid (CID 144582184) is ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid.
What is the SMILES notation for ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid?
The canonical SMILES for ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid is C=C/C=c1/ncc(C(=O)O)c/c1=C/CC.CC.
What is the InChIKey of ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid?
The InChIKey is ISTMJTGQHNZJCY-VHHYKGRWSA-N. The full InChI is InChI=1S/C12H13NO2.C2H6/c1-3-5-9-7-10(12(14)15)8-13-11(9)6-4-2;1-2/h4-8H,2-3H2,1H3,(H,14,15);1-2H3/b9-5-,11-6+;.
What are the key properties of ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid?
ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid is sourced from PubChem (CID 144582184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).