4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one

C7H10O5 — CID 23394374

IUPAC4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one
SMILESO=C1CC(C(O)CO)C(O)=C1O
InChIInChI=1S/C7H10O5/c8-2-5(10)3-1-4(9)7(12)6(3)11/h3,5,8,10-12H,1-2H2
InChIKeyNKUOYLGIAPXYPV-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.74
Rot. Bonds2

About 4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one

4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one (PubChem CID 23394374) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one
PubChem CID23394374
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one
SMILESO=C1CC(C(O)CO)C(O)=C1O
InChIInChI=1S/C7H10O5/c8-2-5(10)3-1-4(9)7(12)6(3)11/h3,5,8,10-12H,1-2H2
InChIKeyNKUOYLGIAPXYPV-UHFFFAOYSA-N
XLogP-0.74
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one?
The IUPAC name of 4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one (CID 23394374) is 4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one.
What is the SMILES notation for 4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one?
The canonical SMILES for 4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one is O=C1CC(C(O)CO)C(O)=C1O.
What is the InChIKey of 4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one?
The InChIKey is NKUOYLGIAPXYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c8-2-5(10)3-1-4(9)7(12)6(3)11/h3,5,8,10-12H,1-2H2.
What are the key properties of 4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one?
4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one has a molecular weight of 174.15 g/mol, XLogP of -0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one is sourced from PubChem (CID 23394374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).