(3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one

C18H25NO2 — CID 134931077

IUPAC(3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1[C@H](C2CCCCC2)C[C@@H](CO)N1Cc1ccccc1
InChIInChI=1S/C18H25NO2/c20-13-16-11-17(15-9-5-2-6-10-15)18(21)19(16)12-14-7-3-1-4-8-14/h1,3-4,7-8,15-17,20H,2,5-6,9-13H2/t16-,17-/m0/s1
InChIKeyFOOQZKYNPLDUQD-IRXDYDNUSA-N
MW287.40 g/mol
LogP2.98
Rot. Bonds4

About (3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one

(3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 134931077) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID134931077
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1[C@H](C2CCCCC2)C[C@@H](CO)N1Cc1ccccc1
InChIInChI=1S/C18H25NO2/c20-13-16-11-17(15-9-5-2-6-10-15)18(21)19(16)12-14-7-3-1-4-8-14/h1,3-4,7-8,15-17,20H,2,5-6,9-13H2/t16-,17-/m0/s1
InChIKeyFOOQZKYNPLDUQD-IRXDYDNUSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,5S)-1-benzyl-3-cyclohexyl-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

(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
CID 155164341
(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 11371081
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
ethyl 1-benzyl-3-cyclohexyl-4-oxoazetidine-2-carboxylate
CID 101373236
1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione
CID 64883443
3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one
CID 139809899
1-benzyl-3-piperidin-4-ylazepan-2-one
CID 110252435
(3R,3aS,7aR)-1-benzyl-3-chloro-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 102256466
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one (CID 134931077) is (3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one is O=C1[C@H](C2CCCCC2)C[C@@H](CO)N1Cc1ccccc1.
What is the InChIKey of (3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is FOOQZKYNPLDUQD-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H25NO2/c20-13-16-11-17(15-9-5-2-6-10-15)18(21)19(16)12-14-7-3-1-4-8-14/h1,3-4,7-8,15-17,20H,2,5-6,9-13H2/t16-,17-/m0/s1.
What are the key properties of (3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one?
(3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 287.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 134931077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).