3-amino-1-prop-2-enylpyrrolidin-2-one

C7H12N2O — CID 58890809

IUPAC3-amino-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CCC(N)C1=O
InChIInChI=1S/C7H12N2O/c1-2-4-9-5-3-6(8)7(9)10/h2,6H,1,3-5,8H2
InChIKeyBZZILPNLYFATIJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.27
Rot. Bonds2

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

3-amino-1-prop-2-enylpyrrolidin-2-one (PubChem CID 58890809) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-amino-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-prop-2-enylpyrrolidin-2-one
PubChem CID58890809
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-amino-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CCC(N)C1=O
InChIInChI=1S/C7H12N2O/c1-2-4-9-5-3-6(8)7(9)10/h2,6H,1,3-5,8H2
InChIKeyBZZILPNLYFATIJ-UHFFFAOYSA-N
XLogP-0.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.27
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-enylpyrrolidin-2-one?
The IUPAC name of 3-amino-1-prop-2-enylpyrrolidin-2-one (CID 58890809) is 3-amino-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 3-amino-1-prop-2-enylpyrrolidin-2-one is C=CCN1CCC(N)C1=O.
What is the InChIKey of 3-amino-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is BZZILPNLYFATIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-4-9-5-3-6(8)7(9)10/h2,6H,1,3-5,8H2.
What are the key properties of 3-amino-1-prop-2-enylpyrrolidin-2-one?
3-amino-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.27, 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-enylpyrrolidin-2-one is sourced from PubChem (CID 58890809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).