(Z)-non-2-enoic acid

C9H16O2 — CID 5282722

IUPAC(Z)-non-2-enoic acid
SMILESCCCCCC/C=C\C(=O)O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7-
InChIKeyADLXTJMPCFOTOO-FPLPWBNLSA-N
MW156.23 g/mol
LogP2.60
Rot. Bonds6

About (Z)-non-2-enoic acid

(Z)-non-2-enoic acid (PubChem CID 5282722) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is (Z)-non-2-enoic acid.

Molecular Properties

Compound Name(Z)-non-2-enoic acid
PubChem CID5282722
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name(Z)-non-2-enoic acid
SMILESCCCCCC/C=C\C(=O)O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7-
InChIKeyADLXTJMPCFOTOO-FPLPWBNLSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-non-2-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

Frequently Asked Questions

What is the IUPAC name of (Z)-non-2-enoic acid?
The IUPAC name of (Z)-non-2-enoic acid (CID 5282722) is (Z)-non-2-enoic acid.
What is the SMILES notation for (Z)-non-2-enoic acid?
The canonical SMILES for (Z)-non-2-enoic acid is CCCCCC/C=C\C(=O)O.
What is the InChIKey of (Z)-non-2-enoic acid?
The InChIKey is ADLXTJMPCFOTOO-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7-.
What are the key properties of (Z)-non-2-enoic acid?
(Z)-non-2-enoic acid has a molecular weight of 156.23 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-non-2-enoic acid is sourced from PubChem (CID 5282722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).