1-(2H-azet-1-yl)ethanone

C5H7NO — CID 10909492

IUPAC1-(2H-azet-1-yl)ethanone
SMILESCC(=O)N1C=CC1
InChIInChI=1S/C5H7NO/c1-5(7)6-3-2-4-6/h2-3H,4H2,1H3
InChIKeyVCZMEQQJDCHGQF-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.36
Rot. Bonds

About 1-(2H-azet-1-yl)ethanone

1-(2H-azet-1-yl)ethanone (PubChem CID 10909492) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 1-(2H-azet-1-yl)ethanone.

Molecular Properties

Compound Name1-(2H-azet-1-yl)ethanone
PubChem CID10909492
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name1-(2H-azet-1-yl)ethanone
SMILESCC(=O)N1C=CC1
InChIInChI=1S/C5H7NO/c1-5(7)6-3-2-4-6/h2-3H,4H2,1H3
InChIKeyVCZMEQQJDCHGQF-UHFFFAOYSA-N
XLogP0.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-azet-1-yl)ethanone?
The IUPAC name of 1-(2H-azet-1-yl)ethanone (CID 10909492) is 1-(2H-azet-1-yl)ethanone.
What is the SMILES notation for 1-(2H-azet-1-yl)ethanone?
The canonical SMILES for 1-(2H-azet-1-yl)ethanone is CC(=O)N1C=CC1.
What is the InChIKey of 1-(2H-azet-1-yl)ethanone?
The InChIKey is VCZMEQQJDCHGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-5(7)6-3-2-4-6/h2-3H,4H2,1H3.
What are the key properties of 1-(2H-azet-1-yl)ethanone?
1-(2H-azet-1-yl)ethanone has a molecular weight of 97.12 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-azet-1-yl)ethanone is sourced from PubChem (CID 10909492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).