2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one

C8H12O4 — CID 143293025

IUPAC2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one
SMILESCC(CO)C1CC(=O)C(O)=C1O
InChIInChI=1S/C8H12O4/c1-4(3-9)5-2-6(10)8(12)7(5)11/h4-5,9,11-12H,2-3H2,1H3
InChIKeyCCCNGFRVNYYUFB-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.53
Rot. Bonds2

About 2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one

2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one (PubChem CID 143293025) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one
PubChem CID143293025
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one
SMILESCC(CO)C1CC(=O)C(O)=C1O
InChIInChI=1S/C8H12O4/c1-4(3-9)5-2-6(10)8(12)7(5)11/h4-5,9,11-12H,2-3H2,1H3
InChIKeyCCCNGFRVNYYUFB-UHFFFAOYSA-N
XLogP0.53
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one?
The IUPAC name of 2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one (CID 143293025) is 2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one?
The canonical SMILES for 2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one is CC(CO)C1CC(=O)C(O)=C1O.
What is the InChIKey of 2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one?
The InChIKey is CCCNGFRVNYYUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-4(3-9)5-2-6(10)8(12)7(5)11/h4-5,9,11-12H,2-3H2,1H3.
What are the key properties of 2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one?
2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one has a molecular weight of 172.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-(1-hydroxypropan-2-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 143293025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).