4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one

C25H25NO2 — CID 12822289

IUPAC4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(CO)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C25H25NO2/c1-19(20-11-5-2-6-12-20)26-17-23(18-27)25(24(26)28,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23,27H,17-18H2,1H3
InChIKeyRYBKMPHHGYJSAX-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.18
Rot. Bonds5

About 4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one

4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 12822289) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID12822289
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(CO)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C25H25NO2/c1-19(20-11-5-2-6-12-20)26-17-23(18-27)25(24(26)28,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23,27H,17-18H2,1H3
InChIKeyRYBKMPHHGYJSAX-UHFFFAOYSA-N
XLogP4.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one (CID 12822289) is 4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one is CC(c1ccccc1)N1CC(CO)C(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is RYBKMPHHGYJSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-19(20-11-5-2-6-12-20)26-17-23(18-27)25(24(26)28,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23,27H,17-18H2,1H3.
What are the key properties of 4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one?
4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3,3-diphenyl-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 12822289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).