1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one

C17H25NO — CID 146518635

IUPAC1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one
SMILESCC1C[C@@H](C(C)C)N(C(=O)C(C)c2ccccc2)C1
InChIInChI=1S/C17H25NO/c1-12(2)16-10-13(3)11-18(16)17(19)14(4)15-8-6-5-7-9-15/h5-9,12-14,16H,10-11H2,1-4H3/t13?,14?,16-/m0/s1
InChIKeyFEWCPXBPSZIAKX-XUJLQICISA-N
MW259.39 g/mol
LogP3.68
Rot. Bonds3

About 1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one

1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one (PubChem CID 146518635) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one
PubChem CID146518635
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one
SMILESCC1C[C@@H](C(C)C)N(C(=O)C(C)c2ccccc2)C1
InChIInChI=1S/C17H25NO/c1-12(2)16-10-13(3)11-18(16)17(19)14(4)15-8-6-5-7-9-15/h5-9,12-14,16H,10-11H2,1-4H3/t13?,14?,16-/m0/s1
InChIKeyFEWCPXBPSZIAKX-XUJLQICISA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477
(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
CID 103833251
6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122112962
1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
CID 114028861
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
(2S)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylpropan-1-one
CID 11436982
(2S)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 104899164
(2R)-2-[(2,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 104876908
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile
CID 91649815
methyl 4-oxo-1-(2-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 123787347
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one (CID 146518635) is 1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one is CC1C[C@@H](C(C)C)N(C(=O)C(C)c2ccccc2)C1.
What is the InChIKey of 1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is FEWCPXBPSZIAKX-XUJLQICISA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)16-10-13(3)11-18(16)17(19)14(4)15-8-6-5-7-9-15/h5-9,12-14,16H,10-11H2,1-4H3/t13?,14?,16-/m0/s1.
What are the key properties of 1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one?
1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 146518635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).