1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one

C16H20N2O4 — CID 6458630

IUPAC1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C16H20N2O4/c1-21-14-4-2-13(3-5-14)18-11-12(10-15(18)19)16(20)17-6-8-22-9-7-17/h2-5,12H,6-11H2,1H3
InChIKeyNRJKHVCEHPULNZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.91
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one

1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 6458630) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID6458630
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C16H20N2O4/c1-21-14-4-2-13(3-5-14)18-11-12(10-15(18)19)16(20)17-6-8-22-9-7-17/h2-5,12H,6-11H2,1H3
InChIKeyNRJKHVCEHPULNZ-UHFFFAOYSA-N
XLogP0.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one (CID 6458630) is 1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCOCC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is NRJKHVCEHPULNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-21-14-4-2-13(3-5-14)18-11-12(10-15(18)19)16(20)17-6-8-22-9-7-17/h2-5,12H,6-11H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 304.35 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6458630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).