3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one

C11H15NO2 — CID 134894460

IUPAC3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one
SMILESC=CN1CCC(C)(C(=O)C2CC2)C1=O
InChIInChI=1S/C11H15NO2/c1-3-12-7-6-11(2,10(12)14)9(13)8-4-5-8/h3,8H,1,4-7H2,2H3
InChIKeyZMWMFAOKNOMOKV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.35
Rot. Bonds3

About 3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one

3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one (PubChem CID 134894460) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one
PubChem CID134894460
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one
SMILESC=CN1CCC(C)(C(=O)C2CC2)C1=O
InChIInChI=1S/C11H15NO2/c1-3-12-7-6-11(2,10(12)14)9(13)8-4-5-8/h3,8H,1,4-7H2,2H3
InChIKeyZMWMFAOKNOMOKV-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-Acetyl-1-ethenylpyrrolidin-2-one
CID 12119980
2-Pyrrolidinone, 1-ethenyl-3-(2-methyl-1-oxopropyl)-
CID 10877747
3-(2,2-Dimethylpropanoyl)-1-ethenylpyrrolidin-2-one
CID 12119983
3-(Cyclopropanecarbonyl)-1-ethenylpyrrolidin-2-one
CID 86173866
3-Decanoyl-1-ethenylpyrrolidin-2-one
CID 86173868
3-(Cyclohexanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one
CID 134877223
3-Decanoyl-1-ethenyl-3-methylpyrrolidin-2-one
CID 134877265
3-(2,2-Dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one
CID 134894534
1-Ethenyl-3-methyl-3-(2-methylpropanoyl)pyrrolidin-2-one
CID 134894553
1-Ethenyl-3-propanoylpyrrolidin-2-one
CID 22335647
3-Butanoyl-1-ethenylpyrrolidin-2-one
CID 67832579
(3S)-3-acetyl-1-ethenylpyrrolidin-2-one
CID 8027476

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one?
The IUPAC name of 3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one (CID 134894460) is 3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one is C=CN1CCC(C)(C(=O)C2CC2)C1=O.
What is the InChIKey of 3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one?
The InChIKey is ZMWMFAOKNOMOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-12-7-6-11(2,10(12)14)9(13)8-4-5-8/h3,8H,1,4-7H2,2H3.
What are the key properties of 3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one?
3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one is sourced from PubChem (CID 134894460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).