(5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one

C19H21NO2 — CID 100949010

IUPAC(5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](CO)CC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21NO2/c21-14-17-13-19(18(22)20-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17,21H,11-14H2,(H,20,22)/t17-/m0/s1
InChIKeyHXQUZDNCJMRHJQ-KRWDZBQOSA-N
MW295.38 g/mol
LogP2.34
Rot. Bonds5

About (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one

(5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 100949010) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID100949010
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](CO)CC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21NO2/c21-14-17-13-19(18(22)20-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17,21H,11-14H2,(H,20,22)/t17-/m0/s1
InChIKeyHXQUZDNCJMRHJQ-KRWDZBQOSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 23359507
[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
CID 126483740
3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
CID 143764227
(3S,5S)-5-(hydroxymethyl)-3-methyl-3-prop-2-enylpyrrolidin-2-one
CID 142636257
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperidin-2-one
CID 11830950
1-benzyl-2-cyclopropylcyclopropan-1-amine
CID 84661114
(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
CID 135156130
(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 102580214
3-benzyl-6-(hydroxymethyl)-3-methylsulfanylpiperazine-2,5-dione
CID 162987141
6-benzyl-3,3-dimethylpiperazin-2-one
CID 91187776
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
(5-benzylpiperidin-2-yl)methanol
CID 117000443

Frequently Asked Questions

What is the IUPAC name of (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one (CID 100949010) is (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one is O=C1N[C@H](CO)CC1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is HXQUZDNCJMRHJQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO2/c21-14-17-13-19(18(22)20-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17,21H,11-14H2,(H,20,22)/t17-/m0/s1.
What are the key properties of (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one?
(5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 100949010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).