(NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine

C24H22N2O — CID 135761843

IUPAC(NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine
SMILESO/N=C(/C1=NCC2=C1C=CC(c1ccccc1)(c1ccccc1)C2)C1CC1
InChIInChI=1S/C24H22N2O/c27-26-22(17-11-12-17)23-21-13-14-24(15-18(21)16-25-23,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,13-14,17,27H,11-12,15-16H2/b26-22+
InChIKeyFROACDBQBQMJLO-XTCLZLMSSA-N
MW354.45 g/mol
LogP4.92
Rot. Bonds4

About (NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine

(NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine (PubChem CID 135761843) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is (NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine
PubChem CID135761843
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name(NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine
SMILESO/N=C(/C1=NCC2=C1C=CC(c1ccccc1)(c1ccccc1)C2)C1CC1
InChIInChI=1S/C24H22N2O/c27-26-22(17-11-12-17)23-21-13-14-24(15-18(21)16-25-23,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,13-14,17,27H,11-12,15-16H2/b26-22+
InChIKeyFROACDBQBQMJLO-XTCLZLMSSA-N
XLogP4.92
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[cyclobutyl-[6-(4-fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]methylidene]hydroxylamine
CID 135594027
(E)-1-cyclopropyl-1-(5,5-diphenyl-2,4-dihydroisoindol-1-yl)-N-methoxymethanimine
CID 135761900
(NE)-N-[cyclobutyl-[6-(3-methoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]methylidene]hydroxylamine
CID 135594007
[cyclopropyl(phenyl)methylidene]hydrazine
CID 85247126
N'-hydroxy-1-phenylcyclopropane-1-carboximidamide
CID 59395631
(6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one
CID 139057610
4,4,6-triphenylcyclohex-2-en-1-one
CID 11012776
N'-hydroxy-1-phenylcyclopentane-1-carboximidamide
CID 87165177
4,4,6,6-tetraphenylcyclohex-2-en-1-one
CID 5248169
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine
CID 71439719
cyclopropyl 2-acetyloxy-6,6-diphenyl-5H-naphthalene-1-carboxylate
CID 70139547
1-phenylbicyclo[2.1.1]hexane
CID 588664

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine (CID 135761843) is (NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine is O/N=C(/C1=NCC2=C1C=CC(c1ccccc1)(c1ccccc1)C2)C1CC1.
What is the InChIKey of (NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine?
The InChIKey is FROACDBQBQMJLO-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H22N2O/c27-26-22(17-11-12-17)23-21-13-14-24(15-18(21)16-25-23,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,13-14,17,27H,11-12,15-16H2/b26-22+.
What are the key properties of (NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine?
(NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine has a molecular weight of 354.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[cyclopropyl-(5,5-diphenyl-3,4-dihydroisoindol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135761843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).