[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

C17H24N2O — CID 119331250

IUPAC[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCc1ccccc1C1CC(C)N(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C17H24N2O/c1-12-6-3-4-7-15(12)14-10-13(2)19(11-14)17(20)16-8-5-9-18-16/h3-4,6-7,13-14,16,18H,5,8-11H2,1-2H3/t13?,14?,16-/m0/s1
InChIKeyLIZFIAVRHKHJEO-XUJLQICISA-N
MW272.39 g/mol
LogP2.45
Rot. Bonds2

About [2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 119331250) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID119331250
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCc1ccccc1C1CC(C)N(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C17H24N2O/c1-12-6-3-4-7-15(12)14-10-13(2)19(11-14)17(20)16-8-5-9-18-16/h3-4,6-7,13-14,16,18H,5,8-11H2,1-2H3/t13?,14?,16-/m0/s1
InChIKeyLIZFIAVRHKHJEO-XUJLQICISA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93373362
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119330969
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 125118087
[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 125135055
(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124595969
2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124693628
2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 119331230
2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124693064
(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 119331256
2-(4-aminophenyl)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124595059
(2,5-dimethylmorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795429
2-(4-aminophenyl)-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119042669

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 119331250) is [2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is Cc1ccccc1C1CC(C)N(C(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of [2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is LIZFIAVRHKHJEO-XUJLQICISA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-6-3-4-7-15(12)14-10-13(2)19(11-14)17(20)16-8-5-9-18-16/h3-4,6-7,13-14,16,18H,5,8-11H2,1-2H3/t13?,14?,16-/m0/s1.
What are the key properties of [2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 272.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 119331250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).