1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone

C10H16O3 — CID 23384657

IUPAC1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone
SMILESCC(=O)C1CC(CO)C(C2CO2)C1
InChIInChI=1S/C10H16O3/c1-6(12)7-2-8(4-11)9(3-7)10-5-13-10/h7-11H,2-5H2,1H3
InChIKeyXRSRNDXMDDWNIU-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.61
Rot. Bonds3

About 1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone

1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone (PubChem CID 23384657) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone
PubChem CID23384657
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone
SMILESCC(=O)C1CC(CO)C(C2CO2)C1
InChIInChI=1S/C10H16O3/c1-6(12)7-2-8(4-11)9(3-7)10-5-13-10/h7-11H,2-5H2,1H3
InChIKeyXRSRNDXMDDWNIU-UHFFFAOYSA-N
XLogP0.61
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone (CID 23384657) is 1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone is CC(=O)C1CC(CO)C(C2CO2)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone?
The InChIKey is XRSRNDXMDDWNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6(12)7-2-8(4-11)9(3-7)10-5-13-10/h7-11H,2-5H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone?
1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone has a molecular weight of 184.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-4-(oxiran-2-yl)cyclopentyl]ethanone is sourced from PubChem (CID 23384657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).