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

C17H22N2O3 — CID 6462003

IUPAC1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCOCC3)CC2=O)cc1C
InChIInChI=1S/C17H22N2O3/c1-12-3-4-15(9-13(12)2)19-11-14(10-16(19)20)17(21)18-5-7-22-8-6-18/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyLUNLRCJOOSYTLZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.52
Rot. Bonds2

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

1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 6462003) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID6462003
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCOCC3)CC2=O)cc1C
InChIInChI=1S/C17H22N2O3/c1-12-3-4-15(9-13(12)2)19-11-14(10-16(19)20)17(21)18-5-7-22-8-6-18/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyLUNLRCJOOSYTLZ-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one (CID 6462003) is 1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCOCC3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is LUNLRCJOOSYTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-3-4-15(9-13(12)2)19-11-14(10-16(19)20)17(21)18-5-7-22-8-6-18/h3-4,9,14H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6462003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).