(4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one

C7H10O4 — CID 11480581

IUPAC(4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
SMILESC[C@H](O)[C@]1(O)C=CC(=O)[C@H]1O
InChIInChI=1S/C7H10O4/c1-4(8)7(11)3-2-5(9)6(7)10/h2-4,6,8,10-11H,1H3/t4-,6+,7+/m0/s1
InChIKeyNEVXRVUNMDEPDG-UBKIQSJTSA-N
MW158.15 g/mol
LogP-1.40
Rot. Bonds1

About (4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one

(4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one (PubChem CID 11480581) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
PubChem CID11480581
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
SMILESC[C@H](O)[C@]1(O)C=CC(=O)[C@H]1O
InChIInChI=1S/C7H10O4/c1-4(8)7(11)3-2-5(9)6(7)10/h2-4,6,8,10-11H,1H3/t4-,6+,7+/m0/s1
InChIKeyNEVXRVUNMDEPDG-UBKIQSJTSA-N
XLogP-1.40
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-4,5-dihydroxy-4-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
CID 11298112
(1S,3S,4R,5R)-3,4-dihydroxy-4-[(1S)-1-hydroxyethyl]-6-oxabicyclo[3.1.0]hexan-2-one
CID 163043139
4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one
CID 11344670
ethane-1,1-diol;pyrrole-2,5-dione
CID 129050540
6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 18320357
1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol
CID 67945243
1,4,5-trihydroxy-4-(1-hydroxyethyl)cyclopent-2-ene-1-carbonitrile
CID 10241508
6,6-dimethyl-2-(propan-2-ylamino)cyclohex-4-ene-1,3-dione
CID 59518498
(3R,3aS,4R,7aS)-3a-hydroxy-4-(1-hydroxyethyl)-3-methyl-7a-propan-2-yl-1,2,3,4-tetrahydroinden-5-one
CID 91094431
2-benzhydryl-6-hydroxy-6-methylpyran-3-one
CID 117066444
2-[hydroxy(propan-2-yl)amino]-6,6-dimethylcyclohex-4-ene-1,3-dione
CID 45093220
(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione
CID 89001782

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one (CID 11480581) is (4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one is C[C@H](O)[C@]1(O)C=CC(=O)[C@H]1O.
What is the InChIKey of (4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
The InChIKey is NEVXRVUNMDEPDG-UBKIQSJTSA-N. The full InChI is InChI=1S/C7H10O4/c1-4(8)7(11)3-2-5(9)6(7)10/h2-4,6,8,10-11H,1H3/t4-,6+,7+/m0/s1.
What are the key properties of (4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
(4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one has a molecular weight of 158.15 g/mol, XLogP of -1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one is sourced from PubChem (CID 11480581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).