2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid

C12H16O3 — CID 70565050

IUPAC2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid
SMILESC=CCC1CCC(CC=C)(C(=O)O)C1=O
InChIInChI=1S/C12H16O3/c1-3-5-9-6-8-12(7-4-2,10(9)13)11(14)15/h3-4,9H,1-2,5-8H2,(H,14,15)
InChIKeyOWPXMXDDYKJFAC-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.19
Rot. Bonds5

About 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid

2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid (PubChem CID 70565050) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid
PubChem CID70565050
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid
SMILESC=CCC1CCC(CC=C)(C(=O)O)C1=O
InChIInChI=1S/C12H16O3/c1-3-5-9-6-8-12(7-4-2,10(9)13)11(14)15/h3-4,9H,1-2,5-8H2,(H,14,15)
InChIKeyOWPXMXDDYKJFAC-UHFFFAOYSA-N
XLogP2.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid
CID 125425353
ethyl 3-methyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxylate
CID 11769750
trans-(2R,6S)-2-ethenyl-2-hydroxy-6-prop-2-enylcyclohexan-1-one
CID 102373492
(8aS)-2,8a-bis(prop-2-enyl)-2,3,4,6-tetrahydronaphthalen-1-one
CID 101070766
1,3-bis(prop-2-enyl)bicyclo[2.2.1]heptan-2-one
CID 123772845
carbonic acid;prop-2-enylcyclopropane
CID 67833665
2-benzoyl-2-prop-2-enylcyclohexan-1-one
CID 11736648
1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid
CID 163236372
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461
4-prop-2-enylbicyclo[2.2.2]octane-1-carboxylic acid
CID 70476769
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 131021386
3-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 71371266

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid (CID 70565050) is 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid is C=CCC1CCC(CC=C)(C(=O)O)C1=O.
What is the InChIKey of 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid?
The InChIKey is OWPXMXDDYKJFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-5-9-6-8-12(7-4-2,10(9)13)11(14)15/h3-4,9H,1-2,5-8H2,(H,14,15).
What are the key properties of 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid?
2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-bis(prop-2-enyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 70565050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).