(E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine

C25H24N2O — CID 135761900

IUPAC(E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine
SMILESCO/N=C(/c1[nH]cc2c1C=CC(c1ccccc1)(c1ccccc1)C2)C1CC1
InChIInChI=1S/C25H24N2O/c1-28-27-23(18-12-13-18)24-22-14-15-25(16-19(22)17-26-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,14-15,17-18,26H,12-13,16H2,1H3/b27-23+
InChIKeyLONQFYKVNRAXSA-SLEBQGDGSA-N
MW368.48 g/mol
LogP5.33
Rot. Bonds5

About (E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine

(E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine (PubChem CID 135761900) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is (E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine
PubChem CID135761900
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name(E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine
SMILESCO/N=C(/c1[nH]cc2c1C=CC(c1ccccc1)(c1ccccc1)C2)C1CC1
InChIInChI=1S/C25H24N2O/c1-28-27-23(18-12-13-18)24-22-14-15-25(16-19(22)17-26-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,14-15,17-18,26H,12-13,16H2,1H3/b27-23+
InChIKeyLONQFYKVNRAXSA-SLEBQGDGSA-N
XLogP5.33
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine
CID 173221541
(E)-1-[6,6-bis(3-methoxyphenyl)-1,7-dihydroindazol-3-yl]-1-cyclopropyl-N-methoxymethanimine
CID 135594009
(NE)-N-[cyclobutyl-[6-(3-methoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]methylidene]hydroxylamine
CID 135594007
(NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine
CID 135761843
(NE)-N-[cyclobutyl-[6-(4-fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]methylidene]hydroxylamine
CID 135594027
(E)-1-cyclobutyl-1-[6,6-di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-N-methoxymethanimine
CID 135761902
5-bromo-2-(4-methylphenyl)-2-phenyl-1H-naphthalene
CID 57095249
methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate
CID 70205985
cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate
CID 70139547
phenyl 2-hydroxy-6,6-diphenyl-5H-naphthalene-1-carboxylate
CID 70200997
cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone
CID 90687634
N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 91352994

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine?
The IUPAC name of (E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine (CID 135761900) is (E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine is CO/N=C(/c1[nH]cc2c1C=CC(c1ccccc1)(c1ccccc1)C2)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine?
The InChIKey is LONQFYKVNRAXSA-SLEBQGDGSA-N. The full InChI is InChI=1S/C25H24N2O/c1-28-27-23(18-12-13-18)24-22-14-15-25(16-19(22)17-26-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,14-15,17-18,26H,12-13,16H2,1H3/b27-23+.
What are the key properties of (E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine?
(E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine has a molecular weight of 368.48 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine is sourced from PubChem (CID 135761900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).