4-hydroxynon-3-enoic acid

C9H16O3 — CID 74031263

IUPAC4-hydroxynon-3-enoic acid
SMILESCCCCCC(O)=CCC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6,10H,2-5,7H2,1H3,(H,11,12)
InChIKeyJMIUVTXNHZCSTL-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.48
Rot. Bonds6

About 4-hydroxynon-3-enoic acid

4-hydroxynon-3-enoic acid (PubChem CID 74031263) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 4-hydroxynon-3-enoic acid.

Molecular Properties

Compound Name4-hydroxynon-3-enoic acid
PubChem CID74031263
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name4-hydroxynon-3-enoic acid
SMILESCCCCCC(O)=CCC(=O)O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6,10H,2-5,7H2,1H3,(H,11,12)
InChIKeyJMIUVTXNHZCSTL-UHFFFAOYSA-N
XLogP2.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hydroxynon-3-enoic 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

4-hydroxyicos-3-enoic acid
CID 88697964
2-octylpent-2-enedioic acid
CID 78151404
octatriacont-11-en-12-ol
CID 156905019
hexatriacont-17-en-18-ol
CID 173290872
(5Z,8Z,11Z,14E)-15-hydroxyicosa-5,8,11,14-tetraenoic acid
CID 88671116
4-hydroxytetradec-4-enoic acid
CID 88697585
henicosane;tetracontanoic acid
CID 175935348
hexanoic acid;hydrochloride
CID 87136893
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420
CID 174741843
CID 174741843

Frequently Asked Questions

What is the IUPAC name of 4-hydroxynon-3-enoic acid?
The IUPAC name of 4-hydroxynon-3-enoic acid (CID 74031263) is 4-hydroxynon-3-enoic acid.
What is the SMILES notation for 4-hydroxynon-3-enoic acid?
The canonical SMILES for 4-hydroxynon-3-enoic acid is CCCCCC(O)=CCC(=O)O.
What is the InChIKey of 4-hydroxynon-3-enoic acid?
The InChIKey is JMIUVTXNHZCSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6,10H,2-5,7H2,1H3,(H,11,12).
What are the key properties of 4-hydroxynon-3-enoic acid?
4-hydroxynon-3-enoic acid has a molecular weight of 172.22 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxynon-3-enoic acid is sourced from PubChem (CID 74031263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).