(2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine

C23H35NOSe — CID 11811857

IUPAC(2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1Cc1ccccc1[Se]C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H35NOSe/c1-19(2)9-7-10-20(3)14-16-26-23-13-6-5-11-21(23)17-24-15-8-12-22(24)18-25-4/h5-6,9,11,13-14,22H,7-8,10,12,15-18H2,1-4H3/b20-14+/t22-/m0/s1
InChIKeySPFAZZAYCJDCJW-FGGAIWKESA-N
MW420.50 g/mol
LogP4.74
Rot. Bonds10

About (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine

(2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine (PubChem CID 11811857) has the molecular formula C23H35NOSe and a molecular weight of 420.50 g/mol. Its IUPAC name is (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine
PubChem CID11811857
Molecular FormulaC23H35NOSe
Molecular Weight420.50 g/mol
Exact Mass421.19
IUPAC Name(2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1Cc1ccccc1[Se]C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H35NOSe/c1-19(2)9-7-10-20(3)14-16-26-23-13-6-5-11-21(23)17-24-15-8-12-22(24)18-25-4/h5-6,9,11,13-14,22H,7-8,10,12,15-18H2,1-4H3/b20-14+/t22-/m0/s1
InChIKeySPFAZZAYCJDCJW-FGGAIWKESA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine 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

3-Benzyloxazolidine
CID 319258
[(2S)-1-benzylpyrrolidin-2-yl]methanol
CID 719760
[(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162654890
[(2R)-1-[(4-dodecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162661440
[(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162665044
2-(1-Benzylpyrrolidin-2-yl)propan-2-ol
CID 22278632
Benzenemethanaminium, N-[2-(dodecyloxy)ethyl]-N,N-dimethyl-, chloride
CID 11965151
Furfurylamine, tetrahydro-N-methyl-N-(alpha-methylphenethyl)-, hydrochloride, (+)-
CID 201371
Oxazolidine, 3-(1-phenylbutyl)-, hydrochloride
CID 3056418
[1-[(2-Fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 5100175
[(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methyl acetate;hydrochloride
CID 162647907
[(2R)-1-[(4-nonylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162649116

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine (CID 11811857) is (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine is COC[C@@H]1CCCN1Cc1ccccc1[Se]C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine?
The InChIKey is SPFAZZAYCJDCJW-FGGAIWKESA-N. The full InChI is InChI=1S/C23H35NOSe/c1-19(2)9-7-10-20(3)14-16-26-23-13-6-5-11-21(23)17-24-15-8-12-22(24)18-25-4/h5-6,9,11,13-14,22H,7-8,10,12,15-18H2,1-4H3/b20-14+/t22-/m0/s1.
What are the key properties of (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine?
(2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine has a molecular weight of 420.50 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 11811857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).