1-penta-1,4-dien-2-ylpyrrolidin-2-one

C9H13NO — CID 66665428

IUPAC1-penta-1,4-dien-2-ylpyrrolidin-2-one
SMILESC=CCC(=C)N1CCCC1=O
InChIInChI=1S/C9H13NO/c1-3-5-8(2)10-7-4-6-9(10)11/h3H,1-2,4-7H2
InChIKeyFHQGMXXAJHKEIX-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.70
Rot. Bonds3

About 1-penta-1,4-dien-2-ylpyrrolidin-2-one

1-penta-1,4-dien-2-ylpyrrolidin-2-one (PubChem CID 66665428) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-penta-1,4-dien-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-penta-1,4-dien-2-ylpyrrolidin-2-one
PubChem CID66665428
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-penta-1,4-dien-2-ylpyrrolidin-2-one
SMILESC=CCC(=C)N1CCCC1=O
InChIInChI=1S/C9H13NO/c1-3-5-8(2)10-7-4-6-9(10)11/h3H,1-2,4-7H2
InChIKeyFHQGMXXAJHKEIX-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-penta-1,4-dien-2-ylpyrrolidin-2-one?
The IUPAC name of 1-penta-1,4-dien-2-ylpyrrolidin-2-one (CID 66665428) is 1-penta-1,4-dien-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-penta-1,4-dien-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-penta-1,4-dien-2-ylpyrrolidin-2-one is C=CCC(=C)N1CCCC1=O.
What is the InChIKey of 1-penta-1,4-dien-2-ylpyrrolidin-2-one?
The InChIKey is FHQGMXXAJHKEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-8(2)10-7-4-6-9(10)11/h3H,1-2,4-7H2.
What are the key properties of 1-penta-1,4-dien-2-ylpyrrolidin-2-one?
1-penta-1,4-dien-2-ylpyrrolidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,4-dien-2-ylpyrrolidin-2-one is sourced from PubChem (CID 66665428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).