cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone

C13H23NO — CID 167927925

IUPACcyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone
SMILESCCC1(CC)CCCN1C(=O)C1CCC1
InChIInChI=1S/C13H23NO/c1-3-13(4-2)9-6-10-14(13)12(15)11-7-5-8-11/h11H,3-10H2,1-2H3
InChIKeyVDKWQBJDWWIFEG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds3

About cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone

cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone (PubChem CID 167927925) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone
PubChem CID167927925
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namecyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone
SMILESCCC1(CC)CCCN1C(=O)C1CCC1
InChIInChI=1S/C13H23NO/c1-3-13(4-2)9-6-10-14(13)12(15)11-7-5-8-11/h11H,3-10H2,1-2H3
InChIKeyVDKWQBJDWWIFEG-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-diethylpyrrolidin-1-yl)ethanone
CID 45086484
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 115270531
[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 136536833
2-ethyl-1-(4-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 83075872
1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83059785
(2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid
CID 134539674
4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783009
cyclopropyl-(2-methyl-2-propan-2-ylpyrrolidin-1-yl)methanone
CID 118284715
2-ethyl-1-(oxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075884
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79527352
(2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 100671287

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone?
The IUPAC name of cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone (CID 167927925) is cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone?
The canonical SMILES for cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone is CCC1(CC)CCCN1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone?
The InChIKey is VDKWQBJDWWIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-13(4-2)9-6-10-14(13)12(15)11-7-5-8-11/h11H,3-10H2,1-2H3.
What are the key properties of cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone?
cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone has a molecular weight of 209.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 167927925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).