1-butyl-5,5-dimethylpyrrolidin-2-one

C10H19NO — CID 14887124

IUPAC1-butyl-5,5-dimethylpyrrolidin-2-one
SMILESCCCCN1C(=O)CCC1(C)C
InChIInChI=1S/C10H19NO/c1-4-5-8-11-9(12)6-7-10(11,2)3/h4-8H2,1-3H3
InChIKeyOFLCVEGJJUMPQB-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds3

About 1-butyl-5,5-dimethylpyrrolidin-2-one

1-butyl-5,5-dimethylpyrrolidin-2-one (PubChem CID 14887124) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-butyl-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-5,5-dimethylpyrrolidin-2-one
PubChem CID14887124
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-butyl-5,5-dimethylpyrrolidin-2-one
SMILESCCCCN1C(=O)CCC1(C)C
InChIInChI=1S/C10H19NO/c1-4-5-8-11-9(12)6-7-10(11,2)3/h4-8H2,1-3H3
InChIKeyOFLCVEGJJUMPQB-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethoxyethyl)-5,5-dimethylpyrrolidin-2-one
CID 135054228
1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 140856572
4-butyl-3,3,7,7-tetramethyl-1,4-diazepan-5-one
CID 117023564
1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 117023315
1,4-dibutylpiperazine-2,5-dione
CID 19902955
(4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one
CID 56934341
6-butyl-1-methyl-2-oxabicyclo[4.1.0]heptan-3-one
CID 15455654
(2R)-1-ethyl-2-hexanoyl-5-oxopyrrolidine-2-carboxylic acid
CID 172772263
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64885387
1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 142170444
4,4-dipentylcycloheptan-1-one
CID 54342464
1,3,3-trimethylpiperidine-2,6-dione
CID 13462179

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 1-butyl-5,5-dimethylpyrrolidin-2-one (CID 14887124) is 1-butyl-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-butyl-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-butyl-5,5-dimethylpyrrolidin-2-one is CCCCN1C(=O)CCC1(C)C.
What is the InChIKey of 1-butyl-5,5-dimethylpyrrolidin-2-one?
The InChIKey is OFLCVEGJJUMPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-8-11-9(12)6-7-10(11,2)3/h4-8H2,1-3H3.
What are the key properties of 1-butyl-5,5-dimethylpyrrolidin-2-one?
1-butyl-5,5-dimethylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 14887124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).