1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one

C11H21NO — CID 59900109

IUPAC1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC1CCN(C)C1C(=O)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-8-6-7-12(5)9(8)10(13)11(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyCRUFZFCDGJOZCW-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds1

About 1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one

1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 59900109) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
PubChem CID59900109
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC1CCN(C)C1C(=O)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-8-6-7-12(5)9(8)10(13)11(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyCRUFZFCDGJOZCW-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one
CID 167367783
[(2S)-1,3-dimethylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 142300145
1-[(2S)-2-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpropan-1-one
CID 177325234
2,2-dimethyl-1-(3-methylpiperidin-2-yl)propan-1-one
CID 176832528
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
(2S)-1,2,3-trimethylpyrrolidine
CID 142283455
3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280
2-[(3R)-1,3-dimethylpyrrolidin-2-yl]acetamide
CID 121479469
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
1-[(1S,3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]-2,2-dimethylpropan-1-one
CID 135167481
(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine
CID 58149350
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one (CID 59900109) is 1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one is CC1CCN(C)C1C(=O)C(C)(C)C.
What is the InChIKey of 1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is CRUFZFCDGJOZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-6-7-12(5)9(8)10(13)11(2,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 183.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59900109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).