1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one

C11H19NO — CID 123838917

IUPAC1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one
SMILESC=CC1CCCN1C(=O)CC(C)C
InChIInChI=1S/C11H19NO/c1-4-10-6-5-7-12(10)11(13)8-9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyQUGAGGVVRGZWGS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds3

About 1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one

1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one (PubChem CID 123838917) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one
PubChem CID123838917
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one
SMILESC=CC1CCCN1C(=O)CC(C)C
InChIInChI=1S/C11H19NO/c1-4-10-6-5-7-12(10)11(13)8-9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyQUGAGGVVRGZWGS-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
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

Vinyl methylpyrrolidone
CID 21695574
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CID 86255489
3-Methyl-1-pyrrolidin-1-ylpent-4-en-1-one
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1-(Pyrrolidin-1-yl)hex-5-en-1-one
CID 168267356
1-butan-2-yl-4-[(Z)-2-fluoroethenyl]pyrrolidin-2-one
CID 140305876
3-Butyl-3-azabicyclo[2.2.1]hept-5-en-2-one
CID 129905141
1-Methyl-3-(prop-2-en-1-yl)pyrrolidin-2-one
CID 13088193
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]hept-6-en-1-one
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1-But-3-enyl-5-ethenylpyrrolidin-2-one
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N,N-di(propan-2-yl)hex-5-enamide
CID 85630997

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one (CID 123838917) is 1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one is C=CC1CCCN1C(=O)CC(C)C.
What is the InChIKey of 1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one?
The InChIKey is QUGAGGVVRGZWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-10-6-5-7-12(10)11(13)8-9(2)3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one?
1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylpyrrolidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 123838917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).