3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one

C10H16N2O — CID 130677439

IUPAC3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CCC(N2CCC2)C1=O
InChIInChI=1S/C10H16N2O/c1-2-5-12-8-4-9(10(12)13)11-6-3-7-11/h2,9H,1,3-8H2
InChIKeyFXRJXHXUDFJTKE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.48
Rot. Bonds3

About 3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one

3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one (PubChem CID 130677439) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one
PubChem CID130677439
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CCC(N2CCC2)C1=O
InChIInChI=1S/C10H16N2O/c1-2-5-12-8-4-9(10(12)13)11-6-3-7-11/h2,9H,1,3-8H2
InChIKeyFXRJXHXUDFJTKE-UHFFFAOYSA-N
XLogP0.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.48
H-Bond Donors ≤ 50
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-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one (CID 130677439) is 3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one is C=CCN1CCC(N2CCC2)C1=O.
What is the InChIKey of 3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is FXRJXHXUDFJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-5-12-8-4-9(10(12)13)11-6-3-7-11/h2,9H,1,3-8H2.
What are the key properties of 3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one?
3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 130677439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).