4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one

C11H19NO — CID 131042748

IUPAC4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one
SMILESCC1(C)NC(=O)CC1(C)C1CCC1
InChIInChI=1S/C11H19NO/c1-10(2)11(3,7-9(13)12-10)8-5-4-6-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyIGLJMLNQOWWIJA-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.09
Rot. Bonds1

About 4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one

4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one (PubChem CID 131042748) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one
PubChem CID131042748
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one
SMILESCC1(C)NC(=O)CC1(C)C1CCC1
InChIInChI=1S/C11H19NO/c1-10(2)11(3,7-9(13)12-10)8-5-4-6-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyIGLJMLNQOWWIJA-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66107206
1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one
CID 107450626
4-cyclohexyl-4-methylpyrrolidin-2-one
CID 66108681
4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one
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(5S)-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 6927018
5-cyclopentyl-5-methylpyrrolidin-3-one
CID 115013336
1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one
CID 66107420
1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one
CID 82720327
1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 66109358
5-cyclohexyl-5-methylpiperazine-2,3-dione
CID 116856177
5-cycloheptyl-5-methylpyrrolidin-3-one
CID 115020388

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one?
The IUPAC name of 4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one (CID 131042748) is 4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one is CC1(C)NC(=O)CC1(C)C1CCC1.
What is the InChIKey of 4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one?
The InChIKey is IGLJMLNQOWWIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)11(3,7-9(13)12-10)8-5-4-6-8/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one?
4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 131042748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).