1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one

C14H27NO — CID 176781659

IUPAC1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1(C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-12(2,3)11(16)15-10-8-9-14(15,7)13(4,5)6/h8-10H2,1-7H3
InChIKeyDFLSZRLPKBFMQJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.46
Rot. Bonds

About 1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one

1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 176781659) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID176781659
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1(C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-12(2,3)11(16)15-10-8-9-14(15,7)13(4,5)6/h8-10H2,1-7H3
InChIKeyDFLSZRLPKBFMQJ-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038
(2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide
CID 69164969
2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 115267110
1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one
CID 126750281
1-[4-(2,2-dimethylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
CID 169318628
propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 177327328
1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104594792
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
[(2R)-azetidin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 130719344
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783009
(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103929899

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one (CID 176781659) is 1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC1(C)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is DFLSZRLPKBFMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2,3)11(16)15-10-8-9-14(15,7)13(4,5)6/h8-10H2,1-7H3.
What are the key properties of 1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176781659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).