3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one

C15H22N2O — CID 83629742

IUPAC3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCCC(=O)N1CCCC1c1cccc(C)c1
InChIInChI=1S/C15H22N2O/c1-12-5-3-6-13(11-12)14-7-4-10-17(14)15(18)8-9-16-2/h3,5-6,11,14,16H,4,7-10H2,1-2H3
InChIKeyRVKXKMZQDPFJGP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.27
Rot. Bonds4

About 3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one

3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 83629742) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID83629742
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCCC(=O)N1CCCC1c1cccc(C)c1
InChIInChI=1S/C15H22N2O/c1-12-5-3-6-13(11-12)14-7-4-10-17(14)15(18)8-9-16-2/h3,5-6,11,14,16H,4,7-10H2,1-2H3
InChIKeyRVKXKMZQDPFJGP-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide
CID 99698305
4-amino-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 119328740
2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166775775
1-[3-[(2R)-2-(3-methylphenyl)azepan-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 95629657
ethyl 3-[[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]amino]propanoate
CID 93076906
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
3-[4-[(2S)-2-(3-methylphenyl)azepan-1-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97007106
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one (CID 83629742) is 3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one is CNCCC(=O)N1CCCC1c1cccc(C)c1.
What is the InChIKey of 3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is RVKXKMZQDPFJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-3-6-13(11-12)14-7-4-10-17(14)15(18)8-9-16-2/h3,5-6,11,14,16H,4,7-10H2,1-2H3.
What are the key properties of 3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 83629742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).