(4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one

C8H10O3 — CID 126969296

IUPAC(4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one
SMILESCC=CC1=CC(=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H10O3/c1-2-3-5-4-6(9)8(11)7(5)10/h2-4,7-8,10-11H,1H3/t7-,8+/m1/s1
InChIKeyMHOOPNKRBMHHEC-SFYZADRCSA-N
MW154.16 g/mol
LogP-0.21
Rot. Bonds1

About (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one

(4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one (PubChem CID 126969296) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one
PubChem CID126969296
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one
SMILESCC=CC1=CC(=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H10O3/c1-2-3-5-4-6(9)8(11)7(5)10/h2-4,7-8,10-11H,1H3/t7-,8+/m1/s1
InChIKeyMHOOPNKRBMHHEC-SFYZADRCSA-N
XLogP-0.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one?
The IUPAC name of (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one (CID 126969296) is (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one is CC=CC1=CC(=O)[C@H](O)[C@@H]1O.
What is the InChIKey of (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one?
The InChIKey is MHOOPNKRBMHHEC-SFYZADRCSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-5-4-6(9)8(11)7(5)10/h2-4,7-8,10-11H,1H3/t7-,8+/m1/s1.
What are the key properties of (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one?
(4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one has a molecular weight of 154.16 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one is sourced from PubChem (CID 126969296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).