2,3-dimethylcyclopent-2-en-1-one

C7H10O — CID 14270

IUPAC2,3-dimethylcyclopent-2-en-1-one
SMILESCC1=C(C)C(=O)CC1
InChIInChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-4H2,1-2H3
InChIKeyUZLQSPYGTUMKGS-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.69
Rot. Bonds

About 2,3-dimethylcyclopent-2-en-1-one

2,3-dimethylcyclopent-2-en-1-one (PubChem CID 14270) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,3-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3-dimethylcyclopent-2-en-1-one
PubChem CID14270
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2,3-dimethylcyclopent-2-en-1-one
SMILESCC1=C(C)C(=O)CC1
InChIInChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-4H2,1-2H3
InChIKeyUZLQSPYGTUMKGS-UHFFFAOYSA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylcyclopent-2-en-1-one?
The IUPAC name of 2,3-dimethylcyclopent-2-en-1-one (CID 14270) is 2,3-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for 2,3-dimethylcyclopent-2-en-1-one?
The canonical SMILES for 2,3-dimethylcyclopent-2-en-1-one is CC1=C(C)C(=O)CC1.
What is the InChIKey of 2,3-dimethylcyclopent-2-en-1-one?
The InChIKey is UZLQSPYGTUMKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-4H2,1-2H3.
What are the key properties of 2,3-dimethylcyclopent-2-en-1-one?
2,3-dimethylcyclopent-2-en-1-one has a molecular weight of 110.16 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 14270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).