1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one

C10H19NO — CID 130027677

IUPAC1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one
SMILESCC(=O)CC1CCC(C)(C)N1C
InChIInChI=1S/C10H19NO/c1-8(12)7-9-5-6-10(2,3)11(9)4/h9H,5-7H2,1-4H3
InChIKeyQJEPKAUIVNVINN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds2

About 1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one

1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one (PubChem CID 130027677) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one
PubChem CID130027677
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one
SMILESCC(=O)CC1CCC(C)(C)N1C
InChIInChI=1S/C10H19NO/c1-8(12)7-9-5-6-10(2,3)11(9)4/h9H,5-7H2,1-4H3
InChIKeyQJEPKAUIVNVINN-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,2-trimethyl-5-(2-methylpropyl)pyrrolidine
CID 170635833
(5R)-5-(methoxymethyl)-1,2,2-trimethylpyrrolidine
CID 168880974
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide
CID 13039165
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one
CID 15006382
1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one
CID 158129773
1-(1,4,4-trimethylpyrrolidin-3-yl)propan-2-one
CID 130028083
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
CID 107001622
2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid
CID 117021293

Frequently Asked Questions

What is the IUPAC name of 1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one?
The IUPAC name of 1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one (CID 130027677) is 1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one?
The canonical SMILES for 1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one is CC(=O)CC1CCC(C)(C)N1C.
What is the InChIKey of 1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one?
The InChIKey is QJEPKAUIVNVINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(12)7-9-5-6-10(2,3)11(9)4/h9H,5-7H2,1-4H3.
What are the key properties of 1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one?
1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one is sourced from PubChem (CID 130027677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).