cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone

C11H19NO — CID 130944377

IUPACcyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC2)C1C
InChIInChI=1S/C11H19NO/c1-8-6-7-12(9(8)2)11(13)10-4-3-5-10/h8-10H,3-7H2,1-2H3
InChIKeyKEYRBORSFOQAIF-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds1

About cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone

cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 130944377) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID130944377
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC2)C1C
InChIInChI=1S/C11H19NO/c1-8-6-7-12(9(8)2)11(13)10-4-3-5-10/h8-10H,3-7H2,1-2H3
InChIKeyKEYRBORSFOQAIF-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone
CID 102786836
cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone
CID 127015560
cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 71930717
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
cyclobutyl-(2-methyl-1,3-oxazinan-3-yl)methanone
CID 110739832
(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone
CID 102961823
2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
CID 130932525
1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371917
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one
CID 130667060
(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 115665198
(2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119343810

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone (CID 130944377) is cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)C2CCC2)C1C.
What is the InChIKey of cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is KEYRBORSFOQAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-6-7-12(9(8)2)11(13)10-4-3-5-10/h8-10H,3-7H2,1-2H3.
What are the key properties of cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone?
cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 181.28 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 130944377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).