(5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one

C17H17NO2 — CID 134999162

IUPAC(5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)[C@H](CO)N1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-12-16-15(13-7-3-1-4-8-13)11-17(20)18(16)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2/t15?,16-/m0/s1
InChIKeyXACXVNWIPLFFBM-LYKKTTPLSA-N
MW267.33 g/mol
LogP2.57
Rot. Bonds3

About (5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one

(5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one (PubChem CID 134999162) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one
PubChem CID134999162
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)[C@H](CO)N1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-12-16-15(13-7-3-1-4-8-13)11-17(20)18(16)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2/t15?,16-/m0/s1
InChIKeyXACXVNWIPLFFBM-LYKKTTPLSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one (CID 134999162) is (5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one is O=C1CC(c2ccccc2)[C@H](CO)N1c1ccccc1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one?
The InChIKey is XACXVNWIPLFFBM-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H17NO2/c19-12-16-15(13-7-3-1-4-8-13)11-17(20)18(16)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2/t15?,16-/m0/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one?
(5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one is sourced from PubChem (CID 134999162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).