phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate

C25H23NO2 — CID 59498141

IUPACphenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate
SMILESCC(=C\Oc1ccccc1)/C(=N/c1ccc2c(c1)CCC2)Oc1ccccc1
InChIInChI=1S/C25H23NO2/c1-19(18-27-23-11-4-2-5-12-23)25(28-24-13-6-3-7-14-24)26-22-16-15-20-9-8-10-21(20)17-22/h2-7,11-18H,8-10H2,1H3/b19-18+,26-25-
InChIKeyCYMUXBPFHUEFNE-RZKVMXFESA-N
MW369.46 g/mol
LogP6.27
Rot. Bonds5

About phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate

phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate (PubChem CID 59498141) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate.

Molecular Properties

Compound Namephenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate
PubChem CID59498141
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Namephenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate
SMILESCC(=C\Oc1ccccc1)/C(=N/c1ccc2c(c1)CCC2)Oc1ccccc1
InChIInChI=1S/C25H23NO2/c1-19(18-27-23-11-4-2-5-12-23)25(28-24-13-6-3-7-14-24)26-22-16-15-20-9-8-10-21(20)17-22/h2-7,11-18H,8-10H2,1H3/b19-18+,26-25-
InChIKeyCYMUXBPFHUEFNE-RZKVMXFESA-N
XLogP6.27
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate?
The IUPAC name of phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate (CID 59498141) is phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate.
What is the SMILES notation for phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate?
The canonical SMILES for phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate is CC(=C\Oc1ccccc1)/C(=N/c1ccc2c(c1)CCC2)Oc1ccccc1.
What is the InChIKey of phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate?
The InChIKey is CYMUXBPFHUEFNE-RZKVMXFESA-N. The full InChI is InChI=1S/C25H23NO2/c1-19(18-27-23-11-4-2-5-12-23)25(28-24-13-6-3-7-14-24)26-22-16-15-20-9-8-10-21(20)17-22/h2-7,11-18H,8-10H2,1H3/b19-18+,26-25-.
What are the key properties of phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate?
phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate has a molecular weight of 369.46 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenoxyprop-2-enimidate is sourced from PubChem (CID 59498141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).