cyclohept-2-ene-1-carboxylic acid

C8H12O2 — CID 10606834

IUPACcyclohept-2-ene-1-carboxylic acid
SMILESO=[13C](O)C1C=CCCCC1
InChIInChI=1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2,(H,9,10)/i8+1
InChIKeyZGWLRHOTSNUCAQ-VJJZLTLGSA-N
MW141.17 g/mol
LogP1.82
Rot. Bonds1

About cyclohept-2-ene-1-carboxylic acid

cyclohept-2-ene-1-carboxylic acid (PubChem CID 10606834) has the molecular formula C8H12O2 and a molecular weight of 141.17 g/mol. Its IUPAC name is cyclohept-2-ene-1-carboxylic acid.

Molecular Properties

Compound Namecyclohept-2-ene-1-carboxylic acid
PubChem CID10606834
Molecular FormulaC8H12O2
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Namecyclohept-2-ene-1-carboxylic acid
SMILESO=[13C](O)C1C=CCCCC1
InChIInChI=1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2,(H,9,10)/i8+1
InChIKeyZGWLRHOTSNUCAQ-VJJZLTLGSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohept-2-ene-1-carboxylic 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

CID 173230696
CID 173230696
alumane;cyclohex-2-ene-1-carboxylic acid
CID 173230504
di(cyclohex-2-en-1-yl)methanone
CID 12625750
cyclohex-2-ene-1-carboxylate
CID 21218503
2-chloro-1-cyclohex-2-en-1-ylethanone
CID 141466272
2,2-dichloro-1-cyclohex-2-en-1-ylethanone
CID 57016024
(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione
CID 102390759
1-cyclopent-2-en-1-ylethanone
CID 12714402
cyclodec-3-ene-1-carboxylic acid
CID 68707781
(1R,4R)-4-bromocyclohex-2-ene-1-carboxylic acid
CID 124673169
N-ethylcyclohex-2-ene-1-carboxamide
CID 130738610
1-acetyloxyethyl cyclohex-2-ene-1-carboxylate
CID 142208667

Frequently Asked Questions

What is the IUPAC name of cyclohept-2-ene-1-carboxylic acid?
The IUPAC name of cyclohept-2-ene-1-carboxylic acid (CID 10606834) is cyclohept-2-ene-1-carboxylic acid.
What is the SMILES notation for cyclohept-2-ene-1-carboxylic acid?
The canonical SMILES for cyclohept-2-ene-1-carboxylic acid is O=[13C](O)C1C=CCCCC1.
What is the InChIKey of cyclohept-2-ene-1-carboxylic acid?
The InChIKey is ZGWLRHOTSNUCAQ-VJJZLTLGSA-N. The full InChI is InChI=1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2,(H,9,10)/i8+1.
What are the key properties of cyclohept-2-ene-1-carboxylic acid?
cyclohept-2-ene-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-2-ene-1-carboxylic acid is sourced from PubChem (CID 10606834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).