2-methylcyclopent-2-en-1-one

C6H8O — CID 14266

IUPAC2-methylcyclopent-2-en-1-one
SMILESCC1=CCCC1=O
InChIInChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
InChIKeyZSBWUNDRDHVNJL-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.30
Rot. Bonds

About 2-methylcyclopent-2-en-1-one

2-methylcyclopent-2-en-1-one (PubChem CID 14266) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methylcyclopent-2-en-1-one
PubChem CID14266
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2-methylcyclopent-2-en-1-one
SMILESCC1=CCCC1=O
InChIInChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
InChIKeyZSBWUNDRDHVNJL-UHFFFAOYSA-N
XLogP1.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclopent-2-en-1-one?
The IUPAC name of 2-methylcyclopent-2-en-1-one (CID 14266) is 2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-methylcyclopent-2-en-1-one is CC1=CCCC1=O.
What is the InChIKey of 2-methylcyclopent-2-en-1-one?
The InChIKey is ZSBWUNDRDHVNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3.
What are the key properties of 2-methylcyclopent-2-en-1-one?
2-methylcyclopent-2-en-1-one has a molecular weight of 96.13 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 14266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).