(Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine

C18H18BrNO2 — CID 177396848

IUPAC(Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine
SMILESCO/N=C1\OC(CBr)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18BrNO2/c1-21-20-17-18(12-16(13-19)22-17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3/b20-17-
InChIKeyPPQYXTZHGROMAL-JZJYNLBNSA-N
MW360.25 g/mol
LogP4.12
Rot. Bonds4

About (Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine

(Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine (PubChem CID 177396848) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine.

Molecular Properties

Compound Name(Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine
PubChem CID177396848
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name(Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine
SMILESCO/N=C1\OC(CBr)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18BrNO2/c1-21-20-17-18(12-16(13-19)22-17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3/b20-17-
InChIKeyPPQYXTZHGROMAL-JZJYNLBNSA-N
XLogP4.12
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-3-(2-hydroxyphenyl)-3-phenyloxolan-2-one
CID 6432783
(2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane
CID 125472801
(Z,3R,4R)-N-methoxy-3,4-dimethyl-3-(phenylsulfanylmethyl)oxolan-2-imine
CID 177457344
chloromethane;3,3-diphenyl-5-(pyrazol-1-ylmethyl)oxolan-2-one;hydrate
CID 67925219
(2R,4R)-2-(bromomethyl)-4-(2-methylphenyl)oxolane
CID 125456017
5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one
CID 70474539
1-bromo-3-[1-fluoro-3-[(1S)-1-phenylmethoxyethyl]cyclobutyl]benzene
CID 174064808
5-[(2,5-dimethylimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
CID 15016078
5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
CID 11724326
5-ethyl-2,2-diphenyloxolane
CID 102273075
5-[(3-methylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one bromide
CID 10093139
(5R)-5-(bromomethyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994007

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine?
The IUPAC name of (Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine (CID 177396848) is (Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine.
What is the SMILES notation for (Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine?
The canonical SMILES for (Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine is CO/N=C1\OC(CBr)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine?
The InChIKey is PPQYXTZHGROMAL-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-21-20-17-18(12-16(13-19)22-17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3/b20-17-.
What are the key properties of (Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine?
(Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine has a molecular weight of 360.25 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(bromomethyl)-N-methoxy-3,3-diphenyloxolan-2-imine is sourced from PubChem (CID 177396848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).