2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane

C15H32N2O2 — CID 145483080

IUPAC2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane
SMILESCC.CC(C)(C)C.CNC(=O)N1CCCC1C(C)=O
InChIInChI=1S/C8H14N2O2.C5H12.C2H6/c1-6(11)7-4-3-5-10(7)8(12)9-2;1-5(2,3)4;1-2/h7H,3-5H2,1-2H3,(H,9,12);1-4H3;1-2H3
InChIKeyRJXDWEJHJRJQQO-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.46
Rot. Bonds1

About 2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane

2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane (PubChem CID 145483080) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane.

Molecular Properties

Compound Name2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane
PubChem CID145483080
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane
SMILESCC.CC(C)(C)C.CNC(=O)N1CCCC1C(C)=O
InChIInChI=1S/C8H14N2O2.C5H12.C2H6/c1-6(11)7-4-3-5-10(7)8(12)9-2;1-5(2,3)4;1-2/h7H,3-5H2,1-2H3,(H,9,12);1-4H3;1-2H3
InChIKeyRJXDWEJHJRJQQO-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 58171936
1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone
CID 142882538
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 113364443
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
1-(1-acetylpyrrolidin-2-yl)ethanone;ethane;propyl 2,2-dimethylpropanoate
CID 143106212
N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
CID 171566777
tert-butyl N-[1-(2-acetylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;propane
CID 142573065
bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl 2-acetylpiperidine-1-carboxylate
CID 68919056

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane?
The IUPAC name of 2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane (CID 145483080) is 2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane.
What is the SMILES notation for 2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane?
The canonical SMILES for 2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane is CC.CC(C)(C)C.CNC(=O)N1CCCC1C(C)=O.
What is the InChIKey of 2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane?
The InChIKey is RJXDWEJHJRJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C5H12.C2H6/c1-6(11)7-4-3-5-10(7)8(12)9-2;1-5(2,3)4;1-2/h7H,3-5H2,1-2H3,(H,9,12);1-4H3;1-2H3.
What are the key properties of 2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane?
2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane has a molecular weight of 272.43 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane is sourced from PubChem (CID 145483080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).