2-(3,3-dimethylcyclopentylidene)propanoic acid

C10H16O2 — CID 79007060

IUPAC2-(3,3-dimethylcyclopentylidene)propanoic acid
SMILESCC(C(=O)O)=C1CCC(C)(C)C1
InChIInChI=1S/C10H16O2/c1-7(9(11)12)8-4-5-10(2,3)6-8/h4-6H2,1-3H3,(H,11,12)
InChIKeyABPJRZYJYPQJSM-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds1

About 2-(3,3-dimethylcyclopentylidene)propanoic acid

2-(3,3-dimethylcyclopentylidene)propanoic acid (PubChem CID 79007060) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclopentylidene)propanoic acid.

Molecular Properties

Compound Name2-(3,3-dimethylcyclopentylidene)propanoic acid
PubChem CID79007060
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(3,3-dimethylcyclopentylidene)propanoic acid
SMILESCC(C(=O)O)=C1CCC(C)(C)C1
InChIInChI=1S/C10H16O2/c1-7(9(11)12)8-4-5-10(2,3)6-8/h4-6H2,1-3H3,(H,11,12)
InChIKeyABPJRZYJYPQJSM-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclopentylidene)propanoic acid?
The IUPAC name of 2-(3,3-dimethylcyclopentylidene)propanoic acid (CID 79007060) is 2-(3,3-dimethylcyclopentylidene)propanoic acid.
What is the SMILES notation for 2-(3,3-dimethylcyclopentylidene)propanoic acid?
The canonical SMILES for 2-(3,3-dimethylcyclopentylidene)propanoic acid is CC(C(=O)O)=C1CCC(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethylcyclopentylidene)propanoic acid?
The InChIKey is ABPJRZYJYPQJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(9(11)12)8-4-5-10(2,3)6-8/h4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-(3,3-dimethylcyclopentylidene)propanoic acid?
2-(3,3-dimethylcyclopentylidene)propanoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclopentylidene)propanoic acid is sourced from PubChem (CID 79007060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).