1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one

C12H21NO — CID 130752251

IUPAC1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one
SMILESCC(C)C(C1CCC1)N1CCC(=O)C1
InChIInChI=1S/C12H21NO/c1-9(2)12(10-4-3-5-10)13-7-6-11(14)8-13/h9-10,12H,3-8H2,1-2H3
InChIKeyBNJPGUFYXOPHCW-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds3

About 1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one

1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one (PubChem CID 130752251) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one
PubChem CID130752251
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one
SMILESCC(C)C(C1CCC1)N1CCC(=O)C1
InChIInChI=1S/C12H21NO/c1-9(2)12(10-4-3-5-10)13-7-6-11(14)8-13/h9-10,12H,3-8H2,1-2H3
InChIKeyBNJPGUFYXOPHCW-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopentylpropyl)pyrrolidin-3-one
CID 130848483
1-(1-cyclobutyl-2-methylpropyl)pyrrolidine-2,3-dione
CID 130752252
1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-amine
CID 130639012
1-(1-cyclohexylethyl)piperidine-2,4-dione
CID 79516160
1-cyclobutylpyrrolidin-3-one
CID 62416933
1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 66242832
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one
CID 43535702
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one
CID 148583764
4-(2,4-dimethylpentan-3-yl)cyclohexan-1-one
CID 58749642
1-cyclodecylpyrrolidin-3-one
CID 138676614
4-(1-cyclohexylethyl)morpholine-2,6-dione
CID 63788190
3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one
CID 81384940

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one?
The IUPAC name of 1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one (CID 130752251) is 1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one?
The canonical SMILES for 1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one is CC(C)C(C1CCC1)N1CCC(=O)C1.
What is the InChIKey of 1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one?
The InChIKey is BNJPGUFYXOPHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)12(10-4-3-5-10)13-7-6-11(14)8-13/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one?
1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-one is sourced from PubChem (CID 130752251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).