9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

C15H9BrN2O — CID 46937316

IUPAC9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c1ccc1c3cccc(Br)c3[nH]c12
InChIInChI=1S/C15H9BrN2O/c16-12-3-1-2-10-11-5-4-9-8(7-19)6-17-14(9)15(11)18-13(10)12/h1-7,17-18H
InChIKeyCMILZUZLXJQSGJ-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.38
Rot. Bonds1

About 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (PubChem CID 46937316) has the molecular formula C15H9BrN2O and a molecular weight of 313.15 g/mol. Its IUPAC name is 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
PubChem CID46937316
Molecular FormulaC15H9BrN2O
Molecular Weight313.15 g/mol
Exact Mass311.99
IUPAC Name9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c1ccc1c3cccc(Br)c3[nH]c12
InChIInChI=1S/C15H9BrN2O/c16-12-3-1-2-10-11-5-4-9-8(7-19)6-17-14(9)15(11)18-13(10)12/h1-7,17-18H
InChIKeyCMILZUZLXJQSGJ-UHFFFAOYSA-N
XLogP4.38
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The IUPAC name of 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (CID 46937316) is 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.
What is the SMILES notation for 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The canonical SMILES for 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is O=Cc1c[nH]c2c1ccc1c3cccc(Br)c3[nH]c12.
What is the InChIKey of 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The InChIKey is CMILZUZLXJQSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O/c16-12-3-1-2-10-11-5-4-9-8(7-19)6-17-14(9)15(11)18-13(10)12/h1-7,17-18H.
What are the key properties of 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde has a molecular weight of 313.15 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is sourced from PubChem (CID 46937316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).