1-but-3-en-2-ylpyrrolidin-2-one

C8H13NO — CID 22255832

IUPAC1-but-3-en-2-ylpyrrolidin-2-one
SMILESC=CC(C)N1CCCC1=O
InChIInChI=1S/C8H13NO/c1-3-7(2)9-6-4-5-8(9)10/h3,7H,1,4-6H2,2H3
InChIKeyDBHWMMMPFDJIIK-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds2

About 1-but-3-en-2-ylpyrrolidin-2-one

1-but-3-en-2-ylpyrrolidin-2-one (PubChem CID 22255832) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-but-3-en-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-but-3-en-2-ylpyrrolidin-2-one
PubChem CID22255832
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-but-3-en-2-ylpyrrolidin-2-one
SMILESC=CC(C)N1CCCC1=O
InChIInChI=1S/C8H13NO/c1-3-7(2)9-6-4-5-8(9)10/h3,7H,1,4-6H2,2H3
InChIKeyDBHWMMMPFDJIIK-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Allyl)pyrrolidin-2-one
CID 75897
But-1-ene;1-ethenylpyrrolidin-2-one
CID 67080053
N-(But-1-enyl)-pyrrolidin-2-one
CID 5371409
1-(But-3-en-1-yl)pyrrolidine-2,5-dione
CID 12395836
1-(2-Fluorohexa-1,5-dien-3-yl)pyrrolidin-2-one
CID 177852373
1-[(E)-pent-1-enyl]pyrrolidin-2-one
CID 18954375
Propylvinylpyrrolidone
CID 54542267
N,N-diisopropylpent-4-enamide
CID 86248502
5-Ethenyl-3,3-difluoro-1-propylpyrrolidin-2-one
CID 123811739
1-butan-2-yl-4-[(Z)-2-fluoroethenyl]pyrrolidin-2-one
CID 140305876
1-Allyl-5-methyl-2-pyrrolidinone
CID 14364333
1-[(Z)-but-1-enyl]pyrrolidin-2-one
CID 68184303

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-ylpyrrolidin-2-one?
The IUPAC name of 1-but-3-en-2-ylpyrrolidin-2-one (CID 22255832) is 1-but-3-en-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-but-3-en-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-but-3-en-2-ylpyrrolidin-2-one is C=CC(C)N1CCCC1=O.
What is the InChIKey of 1-but-3-en-2-ylpyrrolidin-2-one?
The InChIKey is DBHWMMMPFDJIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7(2)9-6-4-5-8(9)10/h3,7H,1,4-6H2,2H3.
What are the key properties of 1-but-3-en-2-ylpyrrolidin-2-one?
1-but-3-en-2-ylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-ylpyrrolidin-2-one is sourced from PubChem (CID 22255832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).