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

C18H24N2O3 — CID 6497293

IUPAC4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CC(C(=O)N2CC(C)OC(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
InChIKeyAEEBSPSKQFXQGG-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.98
Rot. Bonds2

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

4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 6497293) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID6497293
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CC(C(=O)N2CC(C)OC(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
InChIKeyAEEBSPSKQFXQGG-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one (CID 6497293) is 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one is Cc1ccccc1N1CC(C(=O)N2CC(C)OC(C)C2)CC1=O.
What is the InChIKey of 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is AEEBSPSKQFXQGG-UHFFFAOYSA-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.
What are the key properties of 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one?
4-(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 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 6497293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).