1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one

C19H21NO2 — CID 23080045

IUPAC1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one
SMILESCC1C(OCc2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H21NO2/c1-15-18(22-14-17-10-6-3-7-11-17)12-19(21)20(15)13-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3
InChIKeyBOZKINGIYXIWNI-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.39
Rot. Bonds5

About 1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one

1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one (PubChem CID 23080045) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one
PubChem CID23080045
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one
SMILESCC1C(OCc2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H21NO2/c1-15-18(22-14-17-10-6-3-7-11-17)12-19(21)20(15)13-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3
InChIKeyBOZKINGIYXIWNI-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one (CID 23080045) is 1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one is CC1C(OCc2ccccc2)CC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is BOZKINGIYXIWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-18(22-14-17-10-6-3-7-11-17)12-19(21)20(15)13-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3.
What are the key properties of 1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one?
1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 23080045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).