(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C17H22N2O2 — CID 95278838

IUPAC(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1
InChIInChI=1S/C17H22N2O2/c1-12-5-3-4-6-15(12)13-7-8-19(11-13)17(21)14-9-16(20)18(2)10-14/h3-6,13-14H,7-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyUYQPGEBMAZBLPT-KGLIPLIRSA-N
MW286.38 g/mol
LogP1.79
Rot. Bonds2

About (4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95278838) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95278838
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1
InChIInChI=1S/C17H22N2O2/c1-12-5-3-4-6-15(12)13-7-8-19(11-13)17(21)14-9-16(20)18(2)10-14/h3-6,13-14H,7-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyUYQPGEBMAZBLPT-KGLIPLIRSA-N
XLogP1.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 95293027
2-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975828
trans-(1R,2R)-2-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129467421
3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119314086
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90560043
1-azabicyclo[3.3.1]nonan-5-yl-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 138030571
1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 75462351
(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 97104979
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 95278838) is (4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is Cc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1.
What is the InChIKey of (4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is UYQPGEBMAZBLPT-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-3-4-6-15(12)13-7-8-19(11-13)17(21)14-9-16(20)18(2)10-14/h3-6,13-14H,7-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95278838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).