(4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one

C6H8O2 — CID 13037815

IUPAC(4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one
SMILESC[C@@H]1C(=O)C=C[C@@H]1O
InChIInChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h2-5,7H,1H3/t4-,5-/m0/s1
InChIKeyYBOSXQPPIAJHBR-WHFBIAKZSA-N
MW112.13 g/mol
LogP0.12
Rot. Bonds

About (4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one

(4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one (PubChem CID 13037815) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one
PubChem CID13037815
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one
SMILESC[C@@H]1C(=O)C=C[C@@H]1O
InChIInChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h2-5,7H,1H3/t4-,5-/m0/s1
InChIKeyYBOSXQPPIAJHBR-WHFBIAKZSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-4,5-dimethylcyclopent-2-en-1-one
CID 12892584
(4S)-4,5-dimethylcyclopent-2-en-1-one
CID 59939751
5,6-dimethylcyclohex-2-ene-1,4-dione
CID 130037029
(4R,5R)-4,5-dihydroxycyclohepta-2,6-dien-1-one
CID 130834340
(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one
CID 170551049
(4S,5R)-4-hydroxy-5-methylcyclohex-2-en-1-one
CID 11693909
(2S,3R)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 10080412
(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one
CID 58012719
(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione
CID 89001782
1,2-dimethylcyclopentane;4,5-dimethylcyclopentane-1,3-diol;4,5-dimethylcyclopent-2-en-1-one;bis(4-hydroxy-2,3-dimethylcyclopentan-1-one)
CID 162014527
5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-4-hydroxy-6-methylcyclohex-2-en-1-one
CID 122503859
2-hydroxy-6-(3-methyloxiran-2-yl)-2H-pyran-5-one
CID 15237092

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one?
The IUPAC name of (4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one (CID 13037815) is (4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one?
The canonical SMILES for (4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one is C[C@@H]1C(=O)C=C[C@@H]1O.
What is the InChIKey of (4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one?
The InChIKey is YBOSXQPPIAJHBR-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h2-5,7H,1H3/t4-,5-/m0/s1.
What are the key properties of (4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one?
(4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one has a molecular weight of 112.13 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one is sourced from PubChem (CID 13037815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).