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

C6H8O3 — CID 14434981

IUPAC(4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one
SMILESCO[C@H]1C=CC(=O)[C@@H]1O
InChIInChI=1S/C6H8O3/c1-9-5-3-2-4(7)6(5)8/h2-3,5-6,8H,1H3/t5-,6-/m0/s1
InChIKeyIRKONCXNHGPFPK-WDSKDSINSA-N
MW128.13 g/mol
LogP-0.50
Rot. Bonds1

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

(4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one (PubChem CID 14434981) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one
PubChem CID14434981
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one
SMILESCO[C@H]1C=CC(=O)[C@@H]1O
InChIInChI=1S/C6H8O3/c1-9-5-3-2-4(7)6(5)8/h2-3,5-6,8H,1H3/t5-,6-/m0/s1
InChIKeyIRKONCXNHGPFPK-WDSKDSINSA-N
XLogP-0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-4-tert-butoxy-5-hydroxy-2-cyclopenten-1-one
CID 14434987
2-Cyclopenten-1-one, 4,5-dihydroxy-
CID 10197660
trans-4,5-Dihydr-oxy-2-cyclopenten-1-one
CID 57503889
trans-4,5-Dihydroxy-2-cyclopenten-1-one
CID 59934929
ethyl (E,4S,5R)-4,5-dihydroxy-6-oxohept-2-enoate
CID 92039258
Fibpykpqjarqjl-uwvggrqhsa-
CID 14434984
5-Hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 4275358
(4S,5S)-4,5-dihydroxycyclopent-2-en-1-one
CID 10931401
5-Ethoxy-4-hydroxycyclopent-2-en-1-one
CID 14597325
(5-Acetyloxy-4-oxocyclopent-2-en-1-yl) acetate;methanol
CID 17924329
4,5-Di(propan-2-yloxy)cyclopent-2-en-1-one
CID 17924339
4,5-Dimethoxycyclopent-2-en-1-one
CID 18736372

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one (CID 14434981) is (4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one is CO[C@H]1C=CC(=O)[C@@H]1O.
What is the InChIKey of (4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one?
The InChIKey is IRKONCXNHGPFPK-WDSKDSINSA-N. The full InChI is InChI=1S/C6H8O3/c1-9-5-3-2-4(7)6(5)8/h2-3,5-6,8H,1H3/t5-,6-/m0/s1.
What are the key properties of (4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one?
(4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one has a molecular weight of 128.13 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-hydroxy-4-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 14434981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).