2-hydroxy-3-methylcyclopent-2-en-1-one

C6H8O2 — CID 6660

IUPAC2-hydroxy-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)CC1
InChIInChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3
InChIKeyCFAKWWQIUFSQFU-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.18
Rot. Bonds

About 2-hydroxy-3-methylcyclopent-2-en-1-one

2-hydroxy-3-methylcyclopent-2-en-1-one (PubChem CID 6660) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-hydroxy-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-3-methylcyclopent-2-en-1-one
PubChem CID6660
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-hydroxy-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)CC1
InChIInChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3
InChIKeyCFAKWWQIUFSQFU-UHFFFAOYSA-N
XLogP1.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-2-hydroxy-2-cyclopenten-1-one
CID 62752
5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
CID 65427
2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one
CID 89539
2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
CID 528707
3-Hydroxy-2-methyl-cyclopent-2-enone
CID 138619
2-Hydroxy-3-methylcyclopent-2-enone hydrate
CID 45048929
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one
CID 528704
3,4,4-Trimethyl-1,2-cyclopentanedione
CID 6428785
2,5-Dihydroxy-3,6-dipropylcyclohexa-2,5-diene-1,4-dione
CID 5110150
2-Hydroxy-3-propyl-2-cyclopenten-1-one
CID 520224
2-Methoxy-3-methyl-2-cyclopentenone
CID 84249
2-Hydroxy-3-methylcyclohex-2-en-1-one
CID 640704

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-hydroxy-3-methylcyclopent-2-en-1-one (CID 6660) is 2-hydroxy-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-hydroxy-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-hydroxy-3-methylcyclopent-2-en-1-one is CC1=C(O)C(=O)CC1.
What is the InChIKey of 2-hydroxy-3-methylcyclopent-2-en-1-one?
The InChIKey is CFAKWWQIUFSQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3.
What are the key properties of 2-hydroxy-3-methylcyclopent-2-en-1-one?
2-hydroxy-3-methylcyclopent-2-en-1-one has a molecular weight of 112.13 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 6660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).