1-(azetidin-1-yl)ethanone

C5H9NO — CID 14061673

IUPAC1-(azetidin-1-yl)ethanone
SMILESCC(=O)N1CCC1
InChIInChI=1S/C5H9NO/c1-5(7)6-3-2-4-6/h2-4H2,1H3
InChIKeyKTGFLVDKXVWJDH-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.24
Rot. Bonds

About 1-(azetidin-1-yl)ethanone

1-(azetidin-1-yl)ethanone (PubChem CID 14061673) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-(azetidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)ethanone
PubChem CID14061673
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-(azetidin-1-yl)ethanone
SMILESCC(=O)N1CCC1
InChIInChI=1S/C5H9NO/c1-5(7)6-3-2-4-6/h2-4H2,1H3
InChIKeyKTGFLVDKXVWJDH-UHFFFAOYSA-N
XLogP0.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-(5-amino-1,5-diazocan-1-yl)ethanone
CID 170317022
propane;1-pyrrolidin-1-ylethanone
CID 143432619
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179
1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102
1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 103429771
1-[(5Z)-3,4,7,8-tetrahydro-2H-azocin-1-yl]ethanone
CID 135182588
1-(4-acetyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 110738741
1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone
CID 60712313
1-(1-oxo-1,4-thiazepan-4-yl)ethanone
CID 118104177
1-piperidin-1-ylethanone;propanal
CID 178173122

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)ethanone?
The IUPAC name of 1-(azetidin-1-yl)ethanone (CID 14061673) is 1-(azetidin-1-yl)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)ethanone is CC(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)ethanone?
The InChIKey is KTGFLVDKXVWJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(7)6-3-2-4-6/h2-4H2,1H3.
What are the key properties of 1-(azetidin-1-yl)ethanone?
1-(azetidin-1-yl)ethanone has a molecular weight of 99.13 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)ethanone is sourced from PubChem (CID 14061673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).