3-naphthalen-1-yl-1H-azet-2-one

C13H9NO — CID 175502748

IUPAC3-naphthalen-1-yl-1H-azet-2-one
SMILESO=C1NC=C1c1cccc2ccccc12
InChIInChI=1S/C13H9NO/c15-13-12(8-14-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,14,15)
InChIKeyBYWYMGSCELFOKH-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.31
Rot. Bonds1

About 3-naphthalen-1-yl-1H-azet-2-one

3-naphthalen-1-yl-1H-azet-2-one (PubChem CID 175502748) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1H-azet-2-one.

Molecular Properties

Compound Name3-naphthalen-1-yl-1H-azet-2-one
PubChem CID175502748
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name3-naphthalen-1-yl-1H-azet-2-one
SMILESO=C1NC=C1c1cccc2ccccc12
InChIInChI=1S/C13H9NO/c15-13-12(8-14-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,14,15)
InChIKeyBYWYMGSCELFOKH-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1H-azet-2-one?
The IUPAC name of 3-naphthalen-1-yl-1H-azet-2-one (CID 175502748) is 3-naphthalen-1-yl-1H-azet-2-one.
What is the SMILES notation for 3-naphthalen-1-yl-1H-azet-2-one?
The canonical SMILES for 3-naphthalen-1-yl-1H-azet-2-one is O=C1NC=C1c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-1H-azet-2-one?
The InChIKey is BYWYMGSCELFOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-13-12(8-14-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,14,15).
What are the key properties of 3-naphthalen-1-yl-1H-azet-2-one?
3-naphthalen-1-yl-1H-azet-2-one has a molecular weight of 195.22 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1H-azet-2-one is sourced from PubChem (CID 175502748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).