dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium

C15H23N2O+ — CID 6936015

IUPACdimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium
SMILESC[NH+](C)CCCN1C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C15H22N2O/c1-16(2)9-6-10-17-12-14(11-15(17)18)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3/p+1/t14-/m1/s1
InChIKeyILGGUQKGDFTTNF-CQSZACIVSA-O
MW247.36 g/mol
LogP0.54
Rot. Bonds5

About dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium

dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium (PubChem CID 6936015) has the molecular formula C15H23N2O+ and a molecular weight of 247.36 g/mol. Its IUPAC name is dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium
PubChem CID6936015
Molecular FormulaC15H23N2O+
Molecular Weight247.36 g/mol
Exact Mass247.18
IUPAC Namedimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium
SMILESC[NH+](C)CCCN1C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C15H22N2O/c1-16(2)9-6-10-17-12-14(11-15(17)18)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3/p+1/t14-/m1/s1
InChIKeyILGGUQKGDFTTNF-CQSZACIVSA-O
XLogP0.54
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one
CID 746436
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 155799488
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one
CID 97281019
1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
N-(2-methylphenyl)-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 851505
1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one
CID 67113851
(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
CID 97282055
1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one
CID 67327221

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium?
The IUPAC name of dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium (CID 6936015) is dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium?
The canonical SMILES for dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium is C[NH+](C)CCCN1C[C@H](c2ccccc2)CC1=O.
What is the InChIKey of dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium?
The InChIKey is ILGGUQKGDFTTNF-CQSZACIVSA-O. The full InChI is InChI=1S/C15H22N2O/c1-16(2)9-6-10-17-12-14(11-15(17)18)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3/p+1/t14-/m1/s1.
What are the key properties of dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium?
dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium has a molecular weight of 247.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium is sourced from PubChem (CID 6936015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).