4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one

C18H19NO2 — CID 103466411

IUPAC4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one
SMILESCOCC1(c2ccccc2)CC(=O)NC1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-13-18(15-10-6-3-7-11-15)12-16(20)19-17(18)14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3,(H,19,20)
InChIKeyPOFBKMGPALWTBF-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.83
Rot. Bonds4

About 4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one

4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one (PubChem CID 103466411) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one
PubChem CID103466411
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one
SMILESCOCC1(c2ccccc2)CC(=O)NC1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-13-18(15-10-6-3-7-11-15)12-16(20)19-17(18)14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3,(H,19,20)
InChIKeyPOFBKMGPALWTBF-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one?
The IUPAC name of 4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one (CID 103466411) is 4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one.
What is the SMILES notation for 4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one?
The canonical SMILES for 4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one is COCC1(c2ccccc2)CC(=O)NC1c1ccccc1.
What is the InChIKey of 4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one?
The InChIKey is POFBKMGPALWTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-13-18(15-10-6-3-7-11-15)12-16(20)19-17(18)14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3,(H,19,20).
What are the key properties of 4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one?
4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one is sourced from PubChem (CID 103466411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).