1,2-bis(prop-2-enyl)pyrrolidin-3-one

C10H15NO — CID 86179185

IUPAC1,2-bis(prop-2-enyl)pyrrolidin-3-one
SMILESC=CCC1C(=O)CCN1CC=C
InChIInChI=1S/C10H15NO/c1-3-5-9-10(12)6-8-11(9)7-4-2/h3-4,9H,1-2,5-8H2
InChIKeyFCYNSHGDCUJGPG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.39
Rot. Bonds4

About 1,2-bis(prop-2-enyl)pyrrolidin-3-one

1,2-bis(prop-2-enyl)pyrrolidin-3-one (PubChem CID 86179185) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)pyrrolidin-3-one
PubChem CID86179185
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1,2-bis(prop-2-enyl)pyrrolidin-3-one
SMILESC=CCC1C(=O)CCN1CC=C
InChIInChI=1S/C10H15NO/c1-3-5-9-10(12)6-8-11(9)7-4-2/h3-4,9H,1-2,5-8H2
InChIKeyFCYNSHGDCUJGPG-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.39
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 1,2-bis(prop-2-enyl)pyrrolidin-3-one?
The IUPAC name of 1,2-bis(prop-2-enyl)pyrrolidin-3-one (CID 86179185) is 1,2-bis(prop-2-enyl)pyrrolidin-3-one.
What is the SMILES notation for 1,2-bis(prop-2-enyl)pyrrolidin-3-one?
The canonical SMILES for 1,2-bis(prop-2-enyl)pyrrolidin-3-one is C=CCC1C(=O)CCN1CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)pyrrolidin-3-one?
The InChIKey is FCYNSHGDCUJGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-9-10(12)6-8-11(9)7-4-2/h3-4,9H,1-2,5-8H2.
What are the key properties of 1,2-bis(prop-2-enyl)pyrrolidin-3-one?
1,2-bis(prop-2-enyl)pyrrolidin-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)pyrrolidin-3-one is sourced from PubChem (CID 86179185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).