1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine

C23H23BrN2O2 — CID 148688233

IUPAC1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine
SMILES[H]/N=C(\C)c1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(OC)c(Br)cc1C3
InChIInChI=1S/C23H23BrN2O2/c1-13(25)14-3-4-16-17-9-15-10-19(24)21(27-2)12-18(15)23(5-7-28-8-6-23)22(17)26-20(16)11-14/h3-4,10-12,25-26H,5-9H2,1-2H3/b25-13+
InChIKeyNSXZLSZFSPTXDH-DHRITJCHSA-N
MW439.35 g/mol
LogP5.33
Rot. Bonds2

About 1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine

1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine (PubChem CID 148688233) has the molecular formula C23H23BrN2O2 and a molecular weight of 439.35 g/mol. Its IUPAC name is 1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine.

Molecular Properties

Compound Name1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine
PubChem CID148688233
Molecular FormulaC23H23BrN2O2
Molecular Weight439.35 g/mol
Exact Mass438.09
IUPAC Name1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine
SMILES[H]/N=C(\C)c1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(OC)c(Br)cc1C3
InChIInChI=1S/C23H23BrN2O2/c1-13(25)14-3-4-16-17-9-15-10-19(24)21(27-2)12-18(15)23(5-7-28-8-6-23)22(17)26-20(16)11-14/h3-4,10-12,25-26H,5-9H2,1-2H3/b25-13+
InChIKeyNSXZLSZFSPTXDH-DHRITJCHSA-N
XLogP5.33
TPSA58.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine?
The IUPAC name of 1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine (CID 148688233) is 1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine.
What is the SMILES notation for 1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine?
The canonical SMILES for 1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine is [H]/N=C(\C)c1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(OC)c(Br)cc1C3.
What is the InChIKey of 1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine?
The InChIKey is NSXZLSZFSPTXDH-DHRITJCHSA-N. The full InChI is InChI=1S/C23H23BrN2O2/c1-13(25)14-3-4-16-17-9-15-10-19(24)21(27-2)12-18(15)23(5-7-28-8-6-23)22(17)26-20(16)11-14/h3-4,10-12,25-26H,5-9H2,1-2H3/b25-13+.
What are the key properties of 1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine?
1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine has a molecular weight of 439.35 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromo-8-methoxyspiro[5,11-dihydrobenzo[b]carbazole-6,4'-oxane]-3-yl)ethanimine is sourced from PubChem (CID 148688233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).