5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one

C18H27NO3 — CID 68610522

IUPAC5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one
SMILESCC(C)C(COCc1ccccc1)CC(O)C1CCC(=O)N1
InChIInChI=1S/C18H27NO3/c1-13(2)15(10-17(20)16-8-9-18(21)19-16)12-22-11-14-6-4-3-5-7-14/h3-7,13,15-17,20H,8-12H2,1-2H3,(H,19,21)
InChIKeyFUYZYQMHSRSXDK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.51
Rot. Bonds8

About 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one

5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one (PubChem CID 68610522) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one
PubChem CID68610522
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one
SMILESCC(C)C(COCc1ccccc1)CC(O)C1CCC(=O)N1
InChIInChI=1S/C18H27NO3/c1-13(2)15(10-17(20)16-8-9-18(21)19-16)12-22-11-14-6-4-3-5-7-14/h3-7,13,15-17,20H,8-12H2,1-2H3,(H,19,21)
InChIKeyFUYZYQMHSRSXDK-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]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

(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
[3-methyl-2-(propan-2-ylsulfanylmethyl)butoxy]methylbenzene
CID 172547820
(5S)-5-[(1S,2R)-2-hydroxy-1,3-bis(phenylmethoxy)propyl]pyrazolidin-3-one
CID 134876910
5-(1-hydroxy-4-phenylmethoxybutyl)pyrrolidin-2-one;methyl 4-amino-5-hydroxy-8-phenylmethoxyoctanoate;methyl 5-hydroxy-4-nitro-8-phenylmethoxyoctanoate
CID 161320345
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
(5S)-5-[(2S,3R,4R)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-7-phenylmethoxyheptan-3-yl]pyrrolidin-2-one
CID 11114448
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
(2S,3R,4S)-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 102572209
(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 10923310
trans-(2S,5R)-5-methyl-2-[(2R)-1-phenylmethoxypropan-2-yl]cyclohexan-1-one
CID 10539288

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one?
The IUPAC name of 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one (CID 68610522) is 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one?
The canonical SMILES for 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one is CC(C)C(COCc1ccccc1)CC(O)C1CCC(=O)N1.
What is the InChIKey of 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one?
The InChIKey is FUYZYQMHSRSXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(2)15(10-17(20)16-8-9-18(21)19-16)12-22-11-14-6-4-3-5-7-14/h3-7,13,15-17,20H,8-12H2,1-2H3,(H,19,21).
What are the key properties of 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one?
5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one has a molecular weight of 305.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one is sourced from PubChem (CID 68610522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).