1-(azetidin-1-yl)butan-1-one

C7H13NO — CID 11073437

IUPAC1-(azetidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC1
InChIInChI=1S/C7H13NO/c1-2-4-7(9)8-5-3-6-8/h2-6H2,1H3
InChIKeyKQPHTTYWPCVSSF-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds2

About 1-(azetidin-1-yl)butan-1-one

1-(azetidin-1-yl)butan-1-one (PubChem CID 11073437) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(azetidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(azetidin-1-yl)butan-1-one
PubChem CID11073437
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(azetidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC1
InChIInChI=1S/C7H13NO/c1-2-4-7(9)8-5-3-6-8/h2-6H2,1H3
InChIKeyKQPHTTYWPCVSSF-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)butan-1-one?
The IUPAC name of 1-(azetidin-1-yl)butan-1-one (CID 11073437) is 1-(azetidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(azetidin-1-yl)butan-1-one?
The canonical SMILES for 1-(azetidin-1-yl)butan-1-one is CCCC(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)butan-1-one?
The InChIKey is KQPHTTYWPCVSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-4-7(9)8-5-3-6-8/h2-6H2,1H3.
What are the key properties of 1-(azetidin-1-yl)butan-1-one?
1-(azetidin-1-yl)butan-1-one has a molecular weight of 127.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)butan-1-one is sourced from PubChem (CID 11073437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).