1-(azetidin-1-yl)propan-2-one

C6H11NO — CID 58679341

IUPAC1-(azetidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC1
InChIInChI=1S/C6H11NO/c1-6(8)5-7-3-2-4-7/h2-5H2,1H3
InChIKeySEBUQGAVVNSOTE-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.28
Rot. Bonds2

About 1-(azetidin-1-yl)propan-2-one

1-(azetidin-1-yl)propan-2-one (PubChem CID 58679341) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-(azetidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(azetidin-1-yl)propan-2-one
PubChem CID58679341
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-(azetidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC1
InChIInChI=1S/C6H11NO/c1-6(8)5-7-3-2-4-7/h2-5H2,1H3
InChIKeySEBUQGAVVNSOTE-UHFFFAOYSA-N
XLogP0.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)propan-2-one?
The IUPAC name of 1-(azetidin-1-yl)propan-2-one (CID 58679341) is 1-(azetidin-1-yl)propan-2-one.
What is the SMILES notation for 1-(azetidin-1-yl)propan-2-one?
The canonical SMILES for 1-(azetidin-1-yl)propan-2-one is CC(=O)CN1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)propan-2-one?
The InChIKey is SEBUQGAVVNSOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(8)5-7-3-2-4-7/h2-5H2,1H3.
What are the key properties of 1-(azetidin-1-yl)propan-2-one?
1-(azetidin-1-yl)propan-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)propan-2-one is sourced from PubChem (CID 58679341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).