[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

C17H24N2O — CID 125135055

IUPAC[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESCc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCNC2)C1
InChIInChI=1S/C17H24N2O/c1-12-5-3-4-6-16(12)15-9-13(2)19(11-15)17(20)14-7-8-18-10-14/h3-6,13-15,18H,7-11H2,1-2H3/t13-,14+,15-/m1/s1
InChIKeyJRIAJCNBQDLNCI-QLFBSQMISA-N
MW272.39 g/mol
LogP2.31
Rot. Bonds2

About [(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 125135055) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID125135055
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESCc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCNC2)C1
InChIInChI=1S/C17H24N2O/c1-12-5-3-4-6-16(12)15-9-13(2)19(11-15)17(20)14-7-8-18-10-14/h3-6,13-15,18H,7-11H2,1-2H3/t13-,14+,15-/m1/s1
InChIKeyJRIAJCNBQDLNCI-QLFBSQMISA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119331250
[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 124778318
[(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124691859
[(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 125135127
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
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119800987
(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-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120633950
2-(4-aminophenyl)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124595059

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of [(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (CID 125135055) is [(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCNC2)C1.
What is the InChIKey of [(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is JRIAJCNBQDLNCI-QLFBSQMISA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-5-3-4-6-16(12)15-9-13(2)19(11-15)17(20)14-7-8-18-10-14/h3-6,13-15,18H,7-11H2,1-2H3/t13-,14+,15-/m1/s1.
What are the key properties of [(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 272.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 125135055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).