(2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid

C9H14N2O2 — CID 142860033

IUPAC(2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid
SMILESC=C(/C=C\C(=C/C)C(=O)O)CNN
InChIInChI=1S/C9H14N2O2/c1-3-8(9(12)13)5-4-7(2)6-11-10/h3-5,11H,2,6,10H2,1H3,(H,12,13)/b5-4-,8-3+
InChIKeyWLMVAOJJOJZKMX-UEQFWHKLSA-N
MW182.22 g/mol
LogP0.59
Rot. Bonds5

About (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid

(2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid (PubChem CID 142860033) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid
PubChem CID142860033
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid
SMILESC=C(/C=C\C(=C/C)C(=O)O)CNN
InChIInChI=1S/C9H14N2O2/c1-3-8(9(12)13)5-4-7(2)6-11-10/h3-5,11H,2,6,10H2,1H3,(H,12,13)/b5-4-,8-3+
InChIKeyWLMVAOJJOJZKMX-UEQFWHKLSA-N
XLogP0.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-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

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid?
The IUPAC name of (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid (CID 142860033) is (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid.
What is the SMILES notation for (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid?
The canonical SMILES for (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid is C=C(/C=C\C(=C/C)C(=O)O)CNN.
What is the InChIKey of (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid?
The InChIKey is WLMVAOJJOJZKMX-UEQFWHKLSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-8(9(12)13)5-4-7(2)6-11-10/h3-5,11H,2,6,10H2,1H3,(H,12,13)/b5-4-,8-3+.
What are the key properties of (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid?
(2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid has a molecular weight of 182.22 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-5-(hydrazinylmethyl)hexa-3,5-dienoic acid is sourced from PubChem (CID 142860033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).