2-prop-2-enylcyclopentene-1-carboxylic acid

C9H12O2 — CID 45084760

IUPAC2-prop-2-enylcyclopentene-1-carboxylic acid
SMILESC=CCC1=C(C(=O)O)CCC1
InChIInChI=1S/C9H12O2/c1-2-4-7-5-3-6-8(7)9(10)11/h2H,1,3-6H2,(H,10,11)
InChIKeyZNWPMKUYIPGYKI-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.13
Rot. Bonds3

About 2-prop-2-enylcyclopentene-1-carboxylic acid

2-prop-2-enylcyclopentene-1-carboxylic acid (PubChem CID 45084760) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-prop-2-enylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-prop-2-enylcyclopentene-1-carboxylic acid
PubChem CID45084760
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-prop-2-enylcyclopentene-1-carboxylic acid
SMILESC=CCC1=C(C(=O)O)CCC1
InChIInChI=1S/C9H12O2/c1-2-4-7-5-3-6-8(7)9(10)11/h2H,1,3-6H2,(H,10,11)
InChIKeyZNWPMKUYIPGYKI-UHFFFAOYSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enylcyclopenten-1-yl)acetic acid
CID 14022103
2-prop-2-enylcyclopentene-1-thiol
CID 173055096
2-(formyloxymethyl)cyclohexene-1-carboxylic acid
CID 88575113
cyclohexene-1,2-dicarboxylic acid
CID 6958
cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid
CID 54208574
N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide
CID 162417748
2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid
CID 57358717
2-(2-prop-2-enoyloxyethoxycarbonyl)cyclopentene-1-carboxylic acid
CID 58454404
cyclobutene-1,2-dicarboxylic acid;prop-2-enamide
CID 88706863
tris(prop-2-enoic acid);3,5,6-tris(prop-2-enyl)benzene-1,2,4-tricarboxylic acid
CID 175911268
(12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione
CID 69254193
but-3-enylcyclohexane;carbonic acid
CID 70349609

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylcyclopentene-1-carboxylic acid?
The IUPAC name of 2-prop-2-enylcyclopentene-1-carboxylic acid (CID 45084760) is 2-prop-2-enylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-prop-2-enylcyclopentene-1-carboxylic acid?
The canonical SMILES for 2-prop-2-enylcyclopentene-1-carboxylic acid is C=CCC1=C(C(=O)O)CCC1.
What is the InChIKey of 2-prop-2-enylcyclopentene-1-carboxylic acid?
The InChIKey is ZNWPMKUYIPGYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-4-7-5-3-6-8(7)9(10)11/h2H,1,3-6H2,(H,10,11).
What are the key properties of 2-prop-2-enylcyclopentene-1-carboxylic acid?
2-prop-2-enylcyclopentene-1-carboxylic acid has a molecular weight of 152.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 45084760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).