(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

C17H22N2O2 — CID 29262484

IUPAC(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1cccc(N2C[C@@H](C(=O)N3CCCC3)CC2=O)c1C
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-15(13(12)2)19-11-14(10-16(19)20)17(21)18-8-3-4-9-18/h5-7,14H,3-4,8-11H2,1-2H3/t14-/m0/s1
InChIKeyBXEWNVCKLYOOLI-AWEZNQCLSA-N
MW286.37 g/mol
LogP2.28
Rot. Bonds2

About (4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 29262484) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID29262484
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1cccc(N2C[C@@H](C(=O)N3CCCC3)CC2=O)c1C
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-15(13(12)2)19-11-14(10-16(19)20)17(21)18-8-3-4-9-18/h5-7,14H,3-4,8-11H2,1-2H3/t14-/m0/s1
InChIKeyBXEWNVCKLYOOLI-AWEZNQCLSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
1-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119136682
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 46557552
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(4R)-1-(2,3-dimethylphenyl)-4-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 37033772
6-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137380
1-(2,3-dimethylphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56533644
(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 51873328
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 119638157
N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide
CID 129369520
(2S)-4-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129468641

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 29262484) is (4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is Cc1cccc(N2C[C@@H](C(=O)N3CCCC3)CC2=O)c1C.
What is the InChIKey of (4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is BXEWNVCKLYOOLI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-5-7-15(13(12)2)19-11-14(10-16(19)20)17(21)18-8-3-4-9-18/h5-7,14H,3-4,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 29262484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).