3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one

C12H19NO2 — CID 134894534

IUPAC3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one
SMILESC=CN1CCC(C)(C(=O)C(C)(C)C)C1=O
InChIInChI=1S/C12H19NO2/c1-6-13-8-7-12(5,10(13)15)9(14)11(2,3)4/h6H,1,7-8H2,2-5H3
InChIKeyVSSDPBRCVMFUEK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.98
Rot. Bonds2

About 3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one

3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one (PubChem CID 134894534) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one
PubChem CID134894534
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one
SMILESC=CN1CCC(C)(C(=O)C(C)(C)C)C1=O
InChIInChI=1S/C12H19NO2/c1-6-13-8-7-12(5,10(13)15)9(14)11(2,3)4/h6H,1,7-8H2,2-5H3
InChIKeyVSSDPBRCVMFUEK-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.98
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-(Cyclopropanecarbonyl)-1-ethenyl-3-methylpyrrolidin-2-one
CID 134894460
1-Ethenyl-3-methyl-3-(2-methylpropanoyl)pyrrolidin-2-one
CID 134894553
3-(2,2-Dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one
CID 102251857
3,3-Diethyl-1-vinyl-2-pyrrolidinone
CID 18175994
1-Ethenyl-3-propanoylpyrrolidin-2-one
CID 22335647

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one (CID 134894534) is 3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one is C=CN1CCC(C)(C(=O)C(C)(C)C)C1=O.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one?
The InChIKey is VSSDPBRCVMFUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-6-13-8-7-12(5,10(13)15)9(14)11(2,3)4/h6H,1,7-8H2,2-5H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one?
3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-1-ethenyl-3-methylpyrrolidin-2-one is sourced from PubChem (CID 134894534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).