5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one

C16H24N2O — CID 104683709

IUPAC5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
SMILESCC(CCCN)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(7-5-11-17)16(19)18-12-6-10-15(18)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12,17H2,1H3
InChIKeyVFXGWFVJFFACOA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.73
Rot. Bonds5

About 5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one

5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one (PubChem CID 104683709) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
PubChem CID104683709
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
SMILESCC(CCCN)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(7-5-11-17)16(19)18-12-6-10-15(18)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12,17H2,1H3
InChIKeyVFXGWFVJFFACOA-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
2-(aminomethyl)-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 65226010
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-amino-2-methylpentan-1-one
CID 104685219
3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
CID 64897035
1-(5-amino-2-methylpentanoyl)pyrrolidine-2-carboxamide
CID 104683570
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
CID 119737777
5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 104684988
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
(2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 11293396
2-[2-[(2S)-1-oxo-1-(2-phenylpyrrolidin-1-yl)propan-2-yl]oxypropan-2-yloxy]acetic acid
CID 89060544

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one (CID 104683709) is 5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one is CC(CCCN)C(=O)N1CCCC1c1ccccc1.
What is the InChIKey of 5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is VFXGWFVJFFACOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(7-5-11-17)16(19)18-12-6-10-15(18)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12,17H2,1H3.
What are the key properties of 5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one?
5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 104683709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).