(3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one

C24H25NO2 — CID 142645877

IUPAC(3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@H]1C(=O)N(c2cccc3ccccc23)[C@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C24H25NO2/c1-16(2)22-23(18-10-4-3-5-11-18)21(15-26)25(24(22)27)20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16,21-23,26H,15H2,1-2H3/t21-,22-,23+/m1/s1
InChIKeyRIQSYBMYVLYQII-ZLNRFVROSA-N
MW359.47 g/mol
LogP4.60
Rot. Bonds4

About (3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one

(3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one (PubChem CID 142645877) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one
PubChem CID142645877
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@H]1C(=O)N(c2cccc3ccccc23)[C@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C24H25NO2/c1-16(2)22-23(18-10-4-3-5-11-18)21(15-26)25(24(22)27)20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16,21-23,26H,15H2,1-2H3/t21-,22-,23+/m1/s1
InChIKeyRIQSYBMYVLYQII-ZLNRFVROSA-N
XLogP4.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one (CID 142645877) is (3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one is CC(C)[C@H]1C(=O)N(c2cccc3ccccc23)[C@H](CO)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is RIQSYBMYVLYQII-ZLNRFVROSA-N. The full InChI is InChI=1S/C24H25NO2/c1-16(2)22-23(18-10-4-3-5-11-18)21(15-26)25(24(22)27)20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16,21-23,26H,15H2,1-2H3/t21-,22-,23+/m1/s1.
What are the key properties of (3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one?
(3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-(hydroxymethyl)-1-naphthalen-1-yl-4-phenyl-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 142645877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).