(4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one

C18H24N2O3 — CID 7438172

IUPAC(4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1C[C@H](C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1=O
InChIInChI=1S/C18H24N2O3/c1-12-6-4-5-7-16(12)20-11-15(8-17(20)21)18(22)19-9-13(2)23-14(3)10-19/h4-7,13-15H,8-11H2,1-3H3/t13-,14-,15-/m1/s1
InChIKeyAEEBSPSKQFXQGG-RBSFLKMASA-N
MW316.40 g/mol
LogP1.98
Rot. Bonds2

About (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one

(4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 7438172) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID7438172
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1C[C@H](C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1=O
InChIInChI=1S/C18H24N2O3/c1-12-6-4-5-7-16(12)20-11-15(8-17(20)21)18(22)19-9-13(2)23-14(3)10-19/h4-7,13-15H,8-11H2,1-3H3/t13-,14-,15-/m1/s1
InChIKeyAEEBSPSKQFXQGG-RBSFLKMASA-N
XLogP1.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7438163
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
1-(2-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrate;hydrochloride
CID 21128885
4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 17080756
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9351131
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
(4R)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9350947
(4R)-1-(2,3-dimethylphenyl)-4-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 37033772
4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310611
1-(4-chlorophenyl)-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 6471738
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
ethyl 1-[1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 17080683

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one (CID 7438172) is (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one is Cc1ccccc1N1C[C@H](C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1=O.
What is the InChIKey of (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is AEEBSPSKQFXQGG-RBSFLKMASA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-6-4-5-7-16(12)20-11-15(8-17(20)21)18(22)19-9-13(2)23-14(3)10-19/h4-7,13-15H,8-11H2,1-3H3/t13-,14-,15-/m1/s1.
What are the key properties of (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one?
(4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 7438172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).