(4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one

C18H19NO2 — CID 10869717

IUPAC(4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18-11-17(21-14-16-9-5-2-6-10-16)13-19(18)12-15-7-3-1-4-8-15/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyDECCHABSYSOJSZ-KRWDZBQOSA-N
MW281.36 g/mol
LogP3.00
Rot. Bonds5

About (4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one

(4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one (PubChem CID 10869717) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one
PubChem CID10869717
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18-11-17(21-14-16-9-5-2-6-10-16)13-19(18)12-15-7-3-1-4-8-15/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyDECCHABSYSOJSZ-KRWDZBQOSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one (CID 10869717) is (4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one is O=C1C[C@H](OCc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is DECCHABSYSOJSZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18-11-17(21-14-16-9-5-2-6-10-16)13-19(18)12-15-7-3-1-4-8-15/h1-10,17H,11-14H2/t17-/m0/s1.
What are the key properties of (4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one?
(4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 10869717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).