3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one

C12H21NO — CID 134565086

IUPAC3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one
SMILESC=C1CC(C(C)(C)C)C(=O)N1C(C)C
InChIInChI=1S/C12H21NO/c1-8(2)13-9(3)7-10(11(13)14)12(4,5)6/h8,10H,3,7H2,1-2,4-6H3
InChIKeyRMDWFLIDTQEEHI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.80
Rot. Bonds1

About 3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one

3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one (PubChem CID 134565086) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one
PubChem CID134565086
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one
SMILESC=C1CC(C(C)(C)C)C(=O)N1C(C)C
InChIInChI=1S/C12H21NO/c1-8(2)13-9(3)7-10(11(13)14)12(4,5)6/h8,10H,3,7H2,1-2,4-6H3
InChIKeyRMDWFLIDTQEEHI-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Tert-butyl-3-methyl-5-methylidene-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 159689835
1-[3-[2-(Dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one
CID 58493122
1,3-Diethyl-5-methylidenepyrrolidin-2-one
CID 58975945
1,3-Ditert-butyl-5-methylidenepyrrolidin-2-one
CID 59096680
1,4-Diethyl-5-methylidenepyrrolidin-2-one
CID 59801864
5-Methylidene-1,3-di(propan-2-yl)pyrrolidin-2-one
CID 117860930
1-Cyclohexyl-3,4-dimethyl-5-methylidenepyrrolidin-2-one
CID 117980006
1-Methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 118857753
1-(3-Methylbutan-2-yl)-5-methylidenepyrrolidin-2-one
CID 122537452
N-ethyl-3-(3-ethyl-5-methylidene-2-oxopyrrolidin-1-yl)-N-methylpropanamide
CID 126552128
1-Methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
CID 126589429
1-Ethenyl-3,3,4,5-tetramethylpyrrolidin-2-one
CID 126599739

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one (CID 134565086) is 3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one is C=C1CC(C(C)(C)C)C(=O)N1C(C)C.
What is the InChIKey of 3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is RMDWFLIDTQEEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)13-9(3)7-10(11(13)14)12(4,5)6/h8,10H,3,7H2,1-2,4-6H3.
What are the key properties of 3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one?
3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 134565086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).