1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone

C15H12O3 — CID 102480337

IUPAC1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone
SMILESCC(=O)C1OC1C(=O)c1cccc2ccccc12
InChIInChI=1S/C15H12O3/c1-9(16)14-15(18-14)13(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14-15H,1H3
InChIKeyOPUFNEQZDZSZCO-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.38
Rot. Bonds3

About 1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone

1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone (PubChem CID 102480337) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone
PubChem CID102480337
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone
SMILESCC(=O)C1OC1C(=O)c1cccc2ccccc12
InChIInChI=1S/C15H12O3/c1-9(16)14-15(18-14)13(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14-15H,1H3
InChIKeyOPUFNEQZDZSZCO-UHFFFAOYSA-N
XLogP2.38
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
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-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone?
The IUPAC name of 1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone (CID 102480337) is 1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone.
What is the SMILES notation for 1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone?
The canonical SMILES for 1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone is CC(=O)C1OC1C(=O)c1cccc2ccccc12.
What is the InChIKey of 1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone?
The InChIKey is OPUFNEQZDZSZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-9(16)14-15(18-14)13(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14-15H,1H3.
What are the key properties of 1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone?
1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone has a molecular weight of 240.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(naphthalene-1-carbonyl)oxiran-2-yl]ethanone is sourced from PubChem (CID 102480337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).