3-amino-1-prop-1-enylazetidin-2-one

C6H10N2O — CID 54336939

IUPAC3-amino-1-prop-1-enylazetidin-2-one
SMILESCC=CN1CC(N)C1=O
InChIInChI=1S/C6H10N2O/c1-2-3-8-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3
InChIKeyTWDFXLIUVFREGP-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.31
Rot. Bonds1

About 3-amino-1-prop-1-enylazetidin-2-one

3-amino-1-prop-1-enylazetidin-2-one (PubChem CID 54336939) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-amino-1-prop-1-enylazetidin-2-one.

Molecular Properties

Compound Name3-amino-1-prop-1-enylazetidin-2-one
PubChem CID54336939
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-amino-1-prop-1-enylazetidin-2-one
SMILESCC=CN1CC(N)C1=O
InChIInChI=1S/C6H10N2O/c1-2-3-8-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3
InChIKeyTWDFXLIUVFREGP-UHFFFAOYSA-N
XLogP-0.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-prop-1-enylazetidin-2-one?
The IUPAC name of 3-amino-1-prop-1-enylazetidin-2-one (CID 54336939) is 3-amino-1-prop-1-enylazetidin-2-one.
What is the SMILES notation for 3-amino-1-prop-1-enylazetidin-2-one?
The canonical SMILES for 3-amino-1-prop-1-enylazetidin-2-one is CC=CN1CC(N)C1=O.
What is the InChIKey of 3-amino-1-prop-1-enylazetidin-2-one?
The InChIKey is TWDFXLIUVFREGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-3-8-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3.
What are the key properties of 3-amino-1-prop-1-enylazetidin-2-one?
3-amino-1-prop-1-enylazetidin-2-one has a molecular weight of 126.16 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-prop-1-enylazetidin-2-one is sourced from PubChem (CID 54336939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).