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

C12H19NO2 — CID 130971154

IUPAC1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one
SMILESCC(C)(C(=O)N1CCC(=O)C1)C1CCC1
InChIInChI=1S/C12H19NO2/c1-12(2,9-4-3-5-9)11(15)13-7-6-10(14)8-13/h9H,3-8H2,1-2H3
InChIKeyOBQBEIGJTRZGOH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.61
Rot. Bonds2

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

1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one (PubChem CID 130971154) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one
PubChem CID130971154
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one
SMILESCC(C)(C(=O)N1CCC(=O)C1)C1CCC1
InChIInChI=1S/C12H19NO2/c1-12(2,9-4-3-5-9)11(15)13-7-6-10(14)8-13/h9H,3-8H2,1-2H3
InChIKeyOBQBEIGJTRZGOH-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-3-oxopyrrolidine-1-carboxamide
CID 130826752
methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate
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2-methyl-2-(1-methylpiperidin-3-yl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
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1-(1,1-dicyclopropylethyl)pyrrolidin-3-one
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1-(2-methoxy-2-methylpropanoyl)piperidin-4-one
CID 103946549
2-cyclopentyl-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994540
3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 120536477
1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one
CID 107001623
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114797524
(4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one
CID 89212312
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CID 66564387

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one?
The IUPAC name of 1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one (CID 130971154) is 1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one?
The canonical SMILES for 1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one is CC(C)(C(=O)N1CCC(=O)C1)C1CCC1.
What is the InChIKey of 1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one?
The InChIKey is OBQBEIGJTRZGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,9-4-3-5-9)11(15)13-7-6-10(14)8-13/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one?
1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one is sourced from PubChem (CID 130971154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).