5-methyl-5-penta-2,4-dienylpyrrolidin-2-one

C10H15NO — CID 91564398

IUPAC5-methyl-5-penta-2,4-dienylpyrrolidin-2-one
SMILESC=CC=CCC1(C)CCC(=O)N1
InChIInChI=1S/C10H15NO/c1-3-4-5-7-10(2)8-6-9(12)11-10/h3-5H,1,6-8H2,2H3,(H,11,12)
InChIKeyVILMDDHYFKXVMF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds3

About 5-methyl-5-penta-2,4-dienylpyrrolidin-2-one

5-methyl-5-penta-2,4-dienylpyrrolidin-2-one (PubChem CID 91564398) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-methyl-5-penta-2,4-dienylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-penta-2,4-dienylpyrrolidin-2-one
PubChem CID91564398
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-methyl-5-penta-2,4-dienylpyrrolidin-2-one
SMILESC=CC=CCC1(C)CCC(=O)N1
InChIInChI=1S/C10H15NO/c1-3-4-5-7-10(2)8-6-9(12)11-10/h3-5H,1,6-8H2,2H3,(H,11,12)
InChIKeyVILMDDHYFKXVMF-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Azaspiro[4.4]non-6-EN-2-one
CID 23584432
5,5-Bis(prop-2-enyl)pyrrolidin-2-one
CID 138965083
4-Ethyl-1,3,3a,4-tetrahydroindol-2-one
CID 67559825
5,5-Bis(prop-1-en-2-yl)pyrrolidin-2-one
CID 68605778
3-Oct-3-enylpyrrolidine-2,5-dione
CID 69506820
N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide
CID 89032082
4-Cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one
CID 89336628
8-Methyl-1-azaspiro[4.5]dec-6-en-2-one
CID 90967215
9-Methyl-1-azaspiro[4.5]deca-6,8-dien-2-one
CID 91160729
1-Azaspiro[4.5]dec-6-en-2-one
CID 101440491
9-Methyl-1-azaspiro[4.4]nona-6,8-dien-2-one
CID 122521956
6,7-Di(ethylidene)-4-azaspiro[2.4]heptan-5-one
CID 123153489

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-penta-2,4-dienylpyrrolidin-2-one?
The IUPAC name of 5-methyl-5-penta-2,4-dienylpyrrolidin-2-one (CID 91564398) is 5-methyl-5-penta-2,4-dienylpyrrolidin-2-one.
What is the SMILES notation for 5-methyl-5-penta-2,4-dienylpyrrolidin-2-one?
The canonical SMILES for 5-methyl-5-penta-2,4-dienylpyrrolidin-2-one is C=CC=CCC1(C)CCC(=O)N1.
What is the InChIKey of 5-methyl-5-penta-2,4-dienylpyrrolidin-2-one?
The InChIKey is VILMDDHYFKXVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-5-7-10(2)8-6-9(12)11-10/h3-5H,1,6-8H2,2H3,(H,11,12).
What are the key properties of 5-methyl-5-penta-2,4-dienylpyrrolidin-2-one?
5-methyl-5-penta-2,4-dienylpyrrolidin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-penta-2,4-dienylpyrrolidin-2-one is sourced from PubChem (CID 91564398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).