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

C6H10N2O — CID 45078751

IUPAC3-amino-1-prop-2-enylazetidin-2-one
SMILESC=CCN1CC(N)C1=O
InChIInChI=1S/C6H10N2O/c1-2-3-8-4-5(7)6(8)9/h2,5H,1,3-4,7H2
InChIKeyIMCAXFJLBCTYCK-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.66
Rot. Bonds2

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

3-amino-1-prop-2-enylazetidin-2-one (PubChem CID 45078751) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-amino-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name3-amino-1-prop-2-enylazetidin-2-one
PubChem CID45078751
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-amino-1-prop-2-enylazetidin-2-one
SMILESC=CCN1CC(N)C1=O
InChIInChI=1S/C6H10N2O/c1-2-3-8-4-5(7)6(8)9/h2,5H,1,3-4,7H2
InChIKeyIMCAXFJLBCTYCK-UHFFFAOYSA-N
XLogP-0.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-prop-2-enylazetidin-2-one?
The IUPAC name of 3-amino-1-prop-2-enylazetidin-2-one (CID 45078751) is 3-amino-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for 3-amino-1-prop-2-enylazetidin-2-one?
The canonical SMILES for 3-amino-1-prop-2-enylazetidin-2-one is C=CCN1CC(N)C1=O.
What is the InChIKey of 3-amino-1-prop-2-enylazetidin-2-one?
The InChIKey is IMCAXFJLBCTYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-3-8-4-5(7)6(8)9/h2,5H,1,3-4,7H2.
What are the key properties of 3-amino-1-prop-2-enylazetidin-2-one?
3-amino-1-prop-2-enylazetidin-2-one has a molecular weight of 126.16 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 45078751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).