(3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid

C8H11NO2 — CID 138599362

IUPAC(3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid
SMILESC=C(/C=C\C(N)=C/C)C(=O)O
InChIInChI=1S/C8H11NO2/c1-3-7(9)5-4-6(2)8(10)11/h3-5H,2,9H2,1H3,(H,10,11)/b5-4-,7-3+
InChIKeyAVCYAHVLYMHXGT-SBYNAHCQSA-N
MW153.18 g/mol
LogP1.05
Rot. Bonds3

About (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid

(3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid (PubChem CID 138599362) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid.

Molecular Properties

Compound Name(3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid
PubChem CID138599362
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid
SMILESC=C(/C=C\C(N)=C/C)C(=O)O
InChIInChI=1S/C8H11NO2/c1-3-7(9)5-4-6(2)8(10)11/h3-5H,2,9H2,1H3,(H,10,11)/b5-4-,7-3+
InChIKeyAVCYAHVLYMHXGT-SBYNAHCQSA-N
XLogP1.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic 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,4Z)-2-[(Z)-1-amino-2-fluoroethenyl]-3-methylhexa-2,4-dienoic acid
CID 135190409
fluoro (3Z)-5-amino-2-methylidenehexa-3,5-dienoate
CID 142143693
(2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid
CID 166992524
(2e,3e,5e)-5-Amino-6-hydroxy-2-(hydroxymethylene)hexa-3,5-dienoic acid
CID 177694155
3-Amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium
CID 58165875
4-Aminobenzene-5-ide-1-carboxylic acid;yttrium
CID 58305613
4-Amino-4-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 70606965
(2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid
CID 87419505
(E,4E)-4-(1-aminoethylidene)-2-methylpent-2-enedioic acid
CID 87721103
(2Z,4Z)-3-amino-2-ethenylhexa-2,4-dienoic acid
CID 88272195
4-(1-Aminobut-3-enylidene)-2-methylpent-2-enedioic acid
CID 88273381
(3Z)-4-amino-2-methylidenehexa-3,5-dienoic acid
CID 88561116

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid?
The IUPAC name of (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid (CID 138599362) is (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid.
What is the SMILES notation for (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid?
The canonical SMILES for (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid is C=C(/C=C\C(N)=C/C)C(=O)O.
What is the InChIKey of (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid?
The InChIKey is AVCYAHVLYMHXGT-SBYNAHCQSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-7(9)5-4-6(2)8(10)11/h3-5H,2,9H2,1H3,(H,10,11)/b5-4-,7-3+.
What are the key properties of (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid?
(3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoic acid is sourced from PubChem (CID 138599362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).