1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone

C9H17NO — CID 130186895

IUPAC1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@]1(C)CN(C)C[C@@H]1C
InChIInChI=1S/C9H17NO/c1-7-5-10(4)6-9(7,3)8(2)11/h7H,5-6H2,1-4H3/t7-,9+/m0/s1
InChIKeyYVKNSXLUBFYYAC-IONNQARKSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds1

About 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone

1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone (PubChem CID 130186895) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone
PubChem CID130186895
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@]1(C)CN(C)C[C@@H]1C
InChIInChI=1S/C9H17NO/c1-7-5-10(4)6-9(7,3)8(2)11/h7H,5-6H2,1-4H3/t7-,9+/m0/s1
InChIKeyYVKNSXLUBFYYAC-IONNQARKSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone
CID 763057
(4S)-1,3,3,4-tetramethylpyrrolidine
CID 168820541
1-(3,3,5,7-tetramethyl-1,5-diazocan-1-yl)ethanone
CID 142886834
1,3,4,4,5-pentamethylpiperidine
CID 18740724
1-(1,4,4-trimethylpyrrolidin-3-yl)propan-2-one
CID 130028083
1-[(4S)-3,3,4-trimethylpyrrolidin-1-yl]ethanone
CID 174295698
2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid
CID 83908396
1,3,3,6-tetramethylazepane
CID 18711353
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
1-(3a-hydroxy-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 170730118
methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
CID 171090149
3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide
CID 156736872

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone (CID 130186895) is 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone is CC(=O)[C@]1(C)CN(C)C[C@@H]1C.
What is the InChIKey of 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone?
The InChIKey is YVKNSXLUBFYYAC-IONNQARKSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-5-10(4)6-9(7,3)8(2)11/h7H,5-6H2,1-4H3/t7-,9+/m0/s1.
What are the key properties of 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone?
1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone has a molecular weight of 155.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone is sourced from PubChem (CID 130186895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).