(3S)-3-(2-hydroxyethyl)cyclopentan-1-one

C7H12O2 — CID 71387530

IUPAC(3S)-3-(2-hydroxyethyl)cyclopentan-1-one
SMILESO=C1CC[C@@H](CCO)C1
InChIInChI=1S/C7H12O2/c8-4-3-6-1-2-7(9)5-6/h6,8H,1-5H2/t6-/m0/s1
InChIKeyJWFAAVYVUOVXIC-LURJTMIESA-N
MW128.17 g/mol
LogP0.74
Rot. Bonds2

About (3S)-3-(2-hydroxyethyl)cyclopentan-1-one

(3S)-3-(2-hydroxyethyl)cyclopentan-1-one (PubChem CID 71387530) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3S)-3-(2-hydroxyethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-(2-hydroxyethyl)cyclopentan-1-one
PubChem CID71387530
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3S)-3-(2-hydroxyethyl)cyclopentan-1-one
SMILESO=C1CC[C@@H](CCO)C1
InChIInChI=1S/C7H12O2/c8-4-3-6-1-2-7(9)5-6/h6,8H,1-5H2/t6-/m0/s1
InChIKeyJWFAAVYVUOVXIC-LURJTMIESA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-hydroxyethyl)cyclopentan-1-one?
The IUPAC name of (3S)-3-(2-hydroxyethyl)cyclopentan-1-one (CID 71387530) is (3S)-3-(2-hydroxyethyl)cyclopentan-1-one.
What is the SMILES notation for (3S)-3-(2-hydroxyethyl)cyclopentan-1-one?
The canonical SMILES for (3S)-3-(2-hydroxyethyl)cyclopentan-1-one is O=C1CC[C@@H](CCO)C1.
What is the InChIKey of (3S)-3-(2-hydroxyethyl)cyclopentan-1-one?
The InChIKey is JWFAAVYVUOVXIC-LURJTMIESA-N. The full InChI is InChI=1S/C7H12O2/c8-4-3-6-1-2-7(9)5-6/h6,8H,1-5H2/t6-/m0/s1.
What are the key properties of (3S)-3-(2-hydroxyethyl)cyclopentan-1-one?
(3S)-3-(2-hydroxyethyl)cyclopentan-1-one has a molecular weight of 128.17 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-hydroxyethyl)cyclopentan-1-one is sourced from PubChem (CID 71387530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).