3-(1-aminoethenyl)-5-propylpyrrolidin-2-one

C9H16N2O — CID 139523886

IUPAC3-(1-aminoethenyl)-5-propylpyrrolidin-2-one
SMILESC=C(N)C1CC(CCC)NC1=O
InChIInChI=1S/C9H16N2O/c1-3-4-7-5-8(6(2)10)9(12)11-7/h7-8H,2-5,10H2,1H3,(H,11,12)
InChIKeyKAXXFCUZOJEOMR-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.76
Rot. Bonds3

About 3-(1-aminoethenyl)-5-propylpyrrolidin-2-one

3-(1-aminoethenyl)-5-propylpyrrolidin-2-one (PubChem CID 139523886) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(1-aminoethenyl)-5-propylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(1-aminoethenyl)-5-propylpyrrolidin-2-one
PubChem CID139523886
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(1-aminoethenyl)-5-propylpyrrolidin-2-one
SMILESC=C(N)C1CC(CCC)NC1=O
InChIInChI=1S/C9H16N2O/c1-3-4-7-5-8(6(2)10)9(12)11-7/h7-8H,2-5,10H2,1H3,(H,11,12)
InChIKeyKAXXFCUZOJEOMR-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethenyl)-5-propylpyrrolidin-2-one?
The IUPAC name of 3-(1-aminoethenyl)-5-propylpyrrolidin-2-one (CID 139523886) is 3-(1-aminoethenyl)-5-propylpyrrolidin-2-one.
What is the SMILES notation for 3-(1-aminoethenyl)-5-propylpyrrolidin-2-one?
The canonical SMILES for 3-(1-aminoethenyl)-5-propylpyrrolidin-2-one is C=C(N)C1CC(CCC)NC1=O.
What is the InChIKey of 3-(1-aminoethenyl)-5-propylpyrrolidin-2-one?
The InChIKey is KAXXFCUZOJEOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-7-5-8(6(2)10)9(12)11-7/h7-8H,2-5,10H2,1H3,(H,11,12).
What are the key properties of 3-(1-aminoethenyl)-5-propylpyrrolidin-2-one?
3-(1-aminoethenyl)-5-propylpyrrolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethenyl)-5-propylpyrrolidin-2-one is sourced from PubChem (CID 139523886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).