5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one

C9H13NO — CID 12913463

IUPAC5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one
SMILESC=CC(=C)C1CCC(=O)N1C
InChIInChI=1S/C9H13NO/c1-4-7(2)8-5-6-9(11)10(8)3/h4,8H,1-2,5-6H2,3H3
InChIKeyNTMMKBNBMJOFIK-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds2

About 5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one

5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one (PubChem CID 12913463) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one
PubChem CID12913463
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one
SMILESC=CC(=C)C1CCC(=O)N1C
InChIInChI=1S/C9H13NO/c1-4-7(2)8-5-6-9(11)10(8)3/h4,8H,1-2,5-6H2,3H3
InChIKeyNTMMKBNBMJOFIK-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5-Bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidin-2-one
CID 58193780
1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one
CID 101720946
5-Ethenyl-3,3-difluoro-1-propylpyrrolidin-2-one
CID 123811739
1-Allyl-5-methyl-2-pyrrolidinone
CID 14364333
7-Methyl-1,2,5,8-tetrahydropyrrolizin-3-one
CID 11829507
1-(2-Bromoprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one
CID 12035176
8-methyl-2,5,6,8a-tetrahydro-1H-indolizin-3-one
CID 12913464
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]hept-6-en-1-one
CID 14784821
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]oct-7-en-1-one
CID 14784829
1-But-3-enyl-5-ethenylpyrrolidin-2-one
CID 14942501
1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one
CID 14942504
1-But-2-ynyl-3,5-bis(ethenyl)pyrrolidin-2-one
CID 85945184

Frequently Asked Questions

What is the IUPAC name of 5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one?
The IUPAC name of 5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one (CID 12913463) is 5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one is C=CC(=C)C1CCC(=O)N1C.
What is the InChIKey of 5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one?
The InChIKey is NTMMKBNBMJOFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-7(2)8-5-6-9(11)10(8)3/h4,8H,1-2,5-6H2,3H3.
What are the key properties of 5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one?
5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-buta-1,3-dien-2-yl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 12913463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).