2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid

C14H15NO2 — CID 164563371

IUPAC2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid
SMILESC=C/C=c1/ncc(CC(=O)O)c/c1=C/C=C\C
InChIInChI=1S/C14H15NO2/c1-3-5-7-12-8-11(9-14(16)17)10-15-13(12)6-4-2/h3-8,10H,2,9H2,1H3,(H,16,17)/b5-3-,12-7-,13-6+
InChIKeyNZHUJWHGAKFBBJ-HLSJDROUSA-N
MW229.28 g/mol
LogP1.03
Rot. Bonds4

About 2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid

2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid (PubChem CID 164563371) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid
PubChem CID164563371
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid
SMILESC=C/C=c1/ncc(CC(=O)O)c/c1=C/C=C\C
InChIInChI=1S/C14H15NO2/c1-3-5-7-12-8-11(9-14(16)17)10-15-13(12)6-4-2/h3-8,10H,2,9H2,1H3,(H,16,17)/b5-3-,12-7-,13-6+
InChIKeyNZHUJWHGAKFBBJ-HLSJDROUSA-N
XLogP1.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-Dihydroquinoline-3-carboxylic acid
CID 90007711
2-[(4E)-4-(3-methyl-5,6-dihydro-1,4-diazepin-2-ylidene)cyclohexa-1,5-dien-1-yl]acetic acid
CID 123302492
5-(3H-pyridin-2-ylidenemethyl)hepta-3,5-dienoic acid
CID 123705932
ethane;(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid
CID 144582184
2-(5,6-Dimethylidene-3-pyridinyl)acetic acid
CID 144822295
(2E,7Z)-2,4-dimethylazonine-4-carboxylic acid
CID 163696208
(5Z,6E)-6-prop-2-enylidene-5-propylidenepyridine-3-carboxylic acid
CID 144582185
4-(3H-Pyrrol-3-ylidene)butanoic acid
CID 165357906

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid?
The IUPAC name of 2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid (CID 164563371) is 2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid is C=C/C=c1/ncc(CC(=O)O)c/c1=C/C=C\C.
What is the InChIKey of 2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid?
The InChIKey is NZHUJWHGAKFBBJ-HLSJDROUSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-5-7-12-8-11(9-14(16)17)10-15-13(12)6-4-2/h3-8,10H,2,9H2,1H3,(H,16,17)/b5-3-,12-7-,13-6+.
What are the key properties of 2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid?
2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid is sourced from PubChem (CID 164563371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).