2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one

C13H25NO — CID 128514273

IUPAC2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
SMILESCC1CCN(C(=O)C(C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H25NO/c1-10-7-8-14(9-10)11(15)13(5,6)12(2,3)4/h10H,7-9H2,1-6H3
InChIKeyLPKBEMXXVYWJJE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.93
Rot. Bonds1

About 2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one

2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 128514273) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
PubChem CID128514273
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
SMILESCC1CCN(C(=O)C(C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H25NO/c1-10-7-8-14(9-10)11(15)13(5,6)12(2,3)4/h10H,7-9H2,1-6H3
InChIKeyLPKBEMXXVYWJJE-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dimethylpyrrolidin-2-one
CID 209257
N,N-Diethyl-3-methylbutanamide
CID 68290
1-Isobutylpyrrolidin-2-one
CID 3772287
1-Propanone, 2-methyl-1-(1-pyrrolidinyl)-
CID 5143352
1-(3-Methylbutyl)pyrrolidine
CID 108876
US10214537, Example 161
CID 86201975
2,2-Dimethyl-1-(pyrrolidin-1-yl)propan-1-one
CID 566664
3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one
CID 574640
1-Ethyl-4-methylpyrrolidin-2-one
CID 10796755
2,2-Dimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 4629658
2-Methyl-butyryl pyrrolidine
CID 4629660
1,3,3-Trimethylpyrrolidin-2-one
CID 14361323

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one (CID 128514273) is 2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one is CC1CCN(C(=O)C(C)(C)C(C)(C)C)C1.
What is the InChIKey of 2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is LPKBEMXXVYWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-7-8-14(9-10)11(15)13(5,6)12(2,3)4/h10H,7-9H2,1-6H3.
What are the key properties of 2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one?
2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-(3-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 128514273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).