1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone

C10H19NO — CID 176937427

IUPAC1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)C1(CC(C)C)CCNC1
InChIInChI=1S/C10H19NO/c1-8(2)6-10(9(3)12)4-5-11-7-10/h8,11H,4-7H2,1-3H3
InChIKeyOOVUEEBUSBEINT-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.60
Rot. Bonds3

About 1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone

1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone (PubChem CID 176937427) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone
PubChem CID176937427
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)C1(CC(C)C)CCNC1
InChIInChI=1S/C10H19NO/c1-8(2)6-10(9(3)12)4-5-11-7-10/h8,11H,4-7H2,1-3H3
InChIKeyOOVUEEBUSBEINT-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 63140661
1-benzothiophen-2-yl-[3-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 59744671
1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
CID 116570206
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
1-(3-ethylpyrrolidin-3-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736406
1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone
CID 167202953
4-methylpentyl 3-ethylpyrrolidine-3-carboxylate
CID 63144993
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
CID 139221866
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
CID 58210371

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone (CID 176937427) is 1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone is CC(=O)C1(CC(C)C)CCNC1.
What is the InChIKey of 1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone?
The InChIKey is OOVUEEBUSBEINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)6-10(9(3)12)4-5-11-7-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone?
1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone has a molecular weight of 169.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 176937427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).