5-penta-1,2-dien-3-ylpyrrolidin-2-one

C9H13NO — CID 134510875

IUPAC5-penta-1,2-dien-3-ylpyrrolidin-2-one
SMILESC=C=C(CC)C1CCC(=O)N1
InChIInChI=1S/C9H13NO/c1-3-7(4-2)8-5-6-9(11)10-8/h8H,1,4-6H2,2H3,(H,10,11)
InChIKeyPTORJEFDGZFHGN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.39
Rot. Bonds2

About 5-penta-1,2-dien-3-ylpyrrolidin-2-one

5-penta-1,2-dien-3-ylpyrrolidin-2-one (PubChem CID 134510875) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-penta-1,2-dien-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-penta-1,2-dien-3-ylpyrrolidin-2-one
PubChem CID134510875
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-penta-1,2-dien-3-ylpyrrolidin-2-one
SMILESC=C=C(CC)C1CCC(=O)N1
InChIInChI=1S/C9H13NO/c1-3-7(4-2)8-5-6-9(11)10-8/h8H,1,4-6H2,2H3,(H,10,11)
InChIKeyPTORJEFDGZFHGN-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-penta-1,2-dien-3-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-penta-1,2-dien-3-ylpyrrolidin-2-one?
The IUPAC name of 5-penta-1,2-dien-3-ylpyrrolidin-2-one (CID 134510875) is 5-penta-1,2-dien-3-ylpyrrolidin-2-one.
What is the SMILES notation for 5-penta-1,2-dien-3-ylpyrrolidin-2-one?
The canonical SMILES for 5-penta-1,2-dien-3-ylpyrrolidin-2-one is C=C=C(CC)C1CCC(=O)N1.
What is the InChIKey of 5-penta-1,2-dien-3-ylpyrrolidin-2-one?
The InChIKey is PTORJEFDGZFHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7(4-2)8-5-6-9(11)10-8/h8H,1,4-6H2,2H3,(H,10,11).
What are the key properties of 5-penta-1,2-dien-3-ylpyrrolidin-2-one?
5-penta-1,2-dien-3-ylpyrrolidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-penta-1,2-dien-3-ylpyrrolidin-2-one is sourced from PubChem (CID 134510875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).