(4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one

C7H10O3 — CID 44820524

IUPAC(4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one
SMILESCCC1=CC(=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H10O3/c1-2-4-3-5(8)7(10)6(4)9/h3,6-7,9-10H,2H2,1H3/t6-,7-/m1/s1
InChIKeyXROXABYYTCTJTE-RNFRBKRXSA-N
MW142.15 g/mol
LogP-0.37
Rot. Bonds1

About (4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one

(4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one (PubChem CID 44820524) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one
PubChem CID44820524
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one
SMILESCCC1=CC(=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H10O3/c1-2-4-3-5(8)7(10)6(4)9/h3,6-7,9-10H,2H2,1H3/t6-,7-/m1/s1
InChIKeyXROXABYYTCTJTE-RNFRBKRXSA-N
XLogP-0.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one (CID 44820524) is (4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one is CCC1=CC(=O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one?
The InChIKey is XROXABYYTCTJTE-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-4-3-5(8)7(10)6(4)9/h3,6-7,9-10H,2H2,1H3/t6-,7-/m1/s1.
What are the key properties of (4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one?
(4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-ethyl-4,5-dihydroxycyclopent-2-en-1-one is sourced from PubChem (CID 44820524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).