3-naphthalen-1-yloxetan-2-one

C13H10O2 — CID 154509652

IUPAC3-naphthalen-1-yloxetan-2-one
SMILESO=C1OCC1c1cccc2ccccc12
InChIInChI=1S/C13H10O2/c14-13-12(8-15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2
InChIKeyYMTUTEMYUFCKTJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.48
Rot. Bonds1

About 3-naphthalen-1-yloxetan-2-one

3-naphthalen-1-yloxetan-2-one (PubChem CID 154509652) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-naphthalen-1-yloxetan-2-one.

Molecular Properties

Compound Name3-naphthalen-1-yloxetan-2-one
PubChem CID154509652
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name3-naphthalen-1-yloxetan-2-one
SMILESO=C1OCC1c1cccc2ccccc12
InChIInChI=1S/C13H10O2/c14-13-12(8-15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2
InChIKeyYMTUTEMYUFCKTJ-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Related Compounds

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2-naphthalen-1-yl-1,3-dioxole
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(3S,3aS,7aR)-3-naphthalen-1-yl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 101352887
(5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one
CID 102168852
2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
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5-naphthalen-1-yl-1,3-oxazolidin-2-one
CID 13152451
(5S,6R)-5-iodo-6-naphthalen-1-yloxan-2-one
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8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one
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(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane
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2-naphthalen-1-ylcyclopropan-1-amine
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2-naphthalen-1-yl-2,3-dihydrochromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxetan-2-one?
The IUPAC name of 3-naphthalen-1-yloxetan-2-one (CID 154509652) is 3-naphthalen-1-yloxetan-2-one.
What is the SMILES notation for 3-naphthalen-1-yloxetan-2-one?
The canonical SMILES for 3-naphthalen-1-yloxetan-2-one is O=C1OCC1c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yloxetan-2-one?
The InChIKey is YMTUTEMYUFCKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-13-12(8-15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2.
What are the key properties of 3-naphthalen-1-yloxetan-2-one?
3-naphthalen-1-yloxetan-2-one has a molecular weight of 198.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxetan-2-one is sourced from PubChem (CID 154509652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).