1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one

C10H19NO — CID 100963844

IUPAC1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C10H19NO/c1-7(2)10(12)11-8(3)5-6-9(11)4/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKeyLPTIKHRIXPLVKK-IUCAKERBSA-N
MW169.27 g/mol
LogP2.04
Rot. Bonds1

About 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one

1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 100963844) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID100963844
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C10H19NO/c1-7(2)10(12)11-8(3)5-6-9(11)4/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKeyLPTIKHRIXPLVKK-IUCAKERBSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[(2S,6S)-2,4,6-trimethylpiperidin-1-yl]propan-1-one
CID 160985602
(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 131089577
(2S,5S)-5-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile
CID 176757621
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylbutan-1-one
CID 100963841
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
CID 54261478
2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 135299968
bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
1-[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-methylpropan-1-one
CID 58649190
(2S,5S)-2,5-dimethylpyrrolidine-1-carbothioic S-acid
CID 88721529
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
CID 103715028
2-methyl-1-[2-methyl-6-[2-(methylamino)propan-2-yl]piperidin-1-yl]propan-1-one
CID 162779683
2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3699318

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one (CID 100963844) is 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1[C@@H](C)CC[C@@H]1C.
What is the InChIKey of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is LPTIKHRIXPLVKK-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)10(12)11-8(3)5-6-9(11)4/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one?
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 169.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 100963844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).