2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid

C12H16O3 — CID 85054045

IUPAC2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid
SMILESCCC=CCC1=C(CC(=O)O)CCC1=O
InChIInChI=1S/C12H16O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4H,2,5-8H2,1H3,(H,14,15)
InChIKeyQAAHGFINENUHAR-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.48
Rot. Bonds5

About 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid

2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid (PubChem CID 85054045) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid
PubChem CID85054045
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid
SMILESCCC=CCC1=C(CC(=O)O)CCC1=O
InChIInChI=1S/C12H16O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4H,2,5-8H2,1H3,(H,14,15)
InChIKeyQAAHGFINENUHAR-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic 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

Myristoleic Acid
CID 5281119
13-Oxo-9Z,11E-octadecadienoic acid
CID 6446027
9-OxoODE
CID 9839084
Myristelaidic acid
CID 5312402
Lauroleic Acid
CID 5312381
9-Pentadecenoic acid
CID 6365140
Paslmioleic acid
CID 22590166
(Z)-9-Pentadecenoic acid
CID 11708534
(10e)-9-Oxohexadec-10-enoic acid
CID 24801247
(7e)-9-Oxohexadec-7-enoic acid
CID 75201659
9-Oxo-10,12-octadecadienoic acid
CID 5283011
10-keto-12Z-octadecenoic acid
CID 24970825

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid?
The IUPAC name of 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid (CID 85054045) is 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid is CCC=CCC1=C(CC(=O)O)CCC1=O.
What is the InChIKey of 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid?
The InChIKey is QAAHGFINENUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4H,2,5-8H2,1H3,(H,14,15).
What are the key properties of 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid?
2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid is sourced from PubChem (CID 85054045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).