1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one

C8H15NO — CID 147463396

IUPAC1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1C[C@@H](C)CN1
InChIInChI=1S/C8H15NO/c1-3-8(10)7-4-6(2)5-9-7/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyFAIUUMJVICVMLQ-RQJHMYQMSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds2

About 1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one

1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one (PubChem CID 147463396) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one
PubChem CID147463396
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1C[C@@H](C)CN1
InChIInChI=1S/C8H15NO/c1-3-8(10)7-4-6(2)5-9-7/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyFAIUUMJVICVMLQ-RQJHMYQMSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpyrrolidin-2-yl)propan-1-one
CID 176934348
4-methyl-1-[(2S,4S)-4-methylpyrrolidin-2-yl]pentan-1-one
CID 159001557
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
4-methylpyrrolidine-2-carboxamide;hydrochloride
CID 175423092
2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one
CID 90895243
1-(5-methylpiperidin-3-yl)propan-1-one
CID 130940115
N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide
CID 156837561
1-[(2S,4S)-4-methylpyrrolidin-2-yl]-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 167540854
1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
CID 124509499
tris(2-methylaziridine);propanoic acid
CID 175600727
1-benzyl-4-but-1-en-2-ylbenzene;4-methylpyrrolidine-2-carboxylic acid
CID 163270883

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one?
The IUPAC name of 1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one (CID 147463396) is 1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one is CCC(=O)[C@@H]1C[C@@H](C)CN1.
What is the InChIKey of 1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one?
The InChIKey is FAIUUMJVICVMLQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8(10)7-4-6(2)5-9-7/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one?
1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one has a molecular weight of 141.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 147463396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).