5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one

C13H22N2O — CID 58550097

IUPAC5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
SMILESC=CCC1CCC(=O)N1CCN1CCCC1
InChIInChI=1S/C13H22N2O/c1-2-5-12-6-7-13(16)15(12)11-10-14-8-3-4-9-14/h2,12H,1,3-11H2
InChIKeyAIXKRRQELKBDHY-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.65
Rot. Bonds5

About 5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one

5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one (PubChem CID 58550097) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
PubChem CID58550097
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
SMILESC=CCC1CCC(=O)N1CCN1CCCC1
InChIInChI=1S/C13H22N2O/c1-2-5-12-6-7-13(16)15(12)11-10-14-8-3-4-9-14/h2,12H,1,3-11H2
InChIKeyAIXKRRQELKBDHY-UHFFFAOYSA-N
XLogP1.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.65
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 5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The IUPAC name of 5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one (CID 58550097) is 5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one is C=CCC1CCC(=O)N1CCN1CCCC1.
What is the InChIKey of 5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The InChIKey is AIXKRRQELKBDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-5-12-6-7-13(16)15(12)11-10-14-8-3-4-9-14/h2,12H,1,3-11H2.
What are the key properties of 5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 58550097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).