(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine

C18H20N2O2 — CID 10494163

IUPAC(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1N=O
InChIInChI=1S/C18H20N2O2/c1-22-18(15-9-4-2-5-10-15,16-11-6-3-7-12-16)17-13-8-14-20(17)19-21/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1
InChIKeyLVINHTLHAOYKOS-KRWDZBQOSA-N
MW296.37 g/mol
LogP3.72
Rot. Bonds5

About (2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine

(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine (PubChem CID 10494163) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine.

Molecular Properties

Compound Name(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine
PubChem CID10494163
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1N=O
InChIInChI=1S/C18H20N2O2/c1-22-18(15-9-4-2-5-10-15,16-11-6-3-7-12-16)17-13-8-14-20(17)19-21/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1
InChIKeyLVINHTLHAOYKOS-KRWDZBQOSA-N
XLogP3.72
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine
CID 10661477
(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 160513708
2-[methoxy(diphenyl)methyl]-1-tritylaziridine
CID 5249582
[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
CID 10642322
(Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 101166696
(5R)-5-butyl-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-1,2,4-oxadiazole
CID 100989002
(5S)-5-butyl-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-1,2,4-oxadiazole
CID 100989001
(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
CID 71426341
[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane
CID 132597649
[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane
CID 177392334
1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 3615185
(E)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-(3-methylbut-2-enoxy)-1-phenylethanimine
CID 134880725

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine?
The IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine (CID 10494163) is (2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine.
What is the SMILES notation for (2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine?
The canonical SMILES for (2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine is COC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1N=O.
What is the InChIKey of (2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine?
The InChIKey is LVINHTLHAOYKOS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-18(15-9-4-2-5-10-15,16-11-6-3-7-12-16)17-13-8-14-20(17)19-21/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine?
(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine has a molecular weight of 296.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine is sourced from PubChem (CID 10494163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).