cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone

C12H21NO — CID 106982353

IUPACcyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCC2)CCNC1
InChIInChI=1S/C12H21NO/c1-9(2)12(6-7-13-8-12)11(14)10-4-3-5-10/h9-10,13H,3-8H2,1-2H3
InChIKeyBURXZNMMXKACBG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds3

About cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone

cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982353) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982353
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCC2)CCNC1
InChIInChI=1S/C12H21NO/c1-9(2)12(6-7-13-8-12)11(14)10-4-3-5-10/h9-10,13H,3-8H2,1-2H3
InChIKeyBURXZNMMXKACBG-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979589
(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982172
2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982112
2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid
CID 67355372
N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 106980144
N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114178691
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(1-methylcyclobutyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981268
N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979816
N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981352
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982353) is cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)C2CCC2)CCNC1.
What is the InChIKey of cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is BURXZNMMXKACBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)12(6-7-13-8-12)11(14)10-4-3-5-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 195.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).