(4S)-4-(hydroxymethyl)cyclopent-2-en-1-one

C6H8O2 — CID 11309494

IUPAC(4S)-4-(hydroxymethyl)cyclopent-2-en-1-one
SMILESO=C1C=C[C@@H](CO)C1
InChIInChI=1S/C6H8O2/c7-4-5-1-2-6(8)3-5/h1-2,5,7H,3-4H2/t5-/m1/s1
InChIKeyGDZDYXOTAFMJQH-RXMQYKEDSA-N
MW112.13 g/mol
LogP0.12
Rot. Bonds1

About (4S)-4-(hydroxymethyl)cyclopent-2-en-1-one

(4S)-4-(hydroxymethyl)cyclopent-2-en-1-one (PubChem CID 11309494) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (4S)-4-(hydroxymethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-(hydroxymethyl)cyclopent-2-en-1-one
PubChem CID11309494
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(4S)-4-(hydroxymethyl)cyclopent-2-en-1-one
SMILESO=C1C=C[C@@H](CO)C1
InChIInChI=1S/C6H8O2/c7-4-5-1-2-6(8)3-5/h1-2,5,7H,3-4H2/t5-/m1/s1
InChIKeyGDZDYXOTAFMJQH-RXMQYKEDSA-N
XLogP0.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(hydroxymethyl)cyclopent-2-en-1-one?
The IUPAC name of (4S)-4-(hydroxymethyl)cyclopent-2-en-1-one (CID 11309494) is (4S)-4-(hydroxymethyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-(hydroxymethyl)cyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-(hydroxymethyl)cyclopent-2-en-1-one is O=C1C=C[C@@H](CO)C1.
What is the InChIKey of (4S)-4-(hydroxymethyl)cyclopent-2-en-1-one?
The InChIKey is GDZDYXOTAFMJQH-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8O2/c7-4-5-1-2-6(8)3-5/h1-2,5,7H,3-4H2/t5-/m1/s1.
What are the key properties of (4S)-4-(hydroxymethyl)cyclopent-2-en-1-one?
(4S)-4-(hydroxymethyl)cyclopent-2-en-1-one has a molecular weight of 112.13 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(hydroxymethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 11309494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).