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

C15H9BrN2O — CID 46937315

IUPAC8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c1ccc1c3ccc(Br)cc3[nH]c12
InChIInChI=1S/C15H9BrN2O/c16-9-1-2-11-12-4-3-10-8(7-19)6-17-14(10)15(12)18-13(11)5-9/h1-7,17-18H
InChIKeySPEJLOPLPXXWKF-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.38
Rot. Bonds1

About 8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (PubChem CID 46937315) has the molecular formula C15H9BrN2O and a molecular weight of 313.15 g/mol. Its IUPAC name is 8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
PubChem CID46937315
Molecular FormulaC15H9BrN2O
Molecular Weight313.15 g/mol
Exact Mass311.99
IUPAC Name8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c1ccc1c3ccc(Br)cc3[nH]c12
InChIInChI=1S/C15H9BrN2O/c16-9-1-2-11-12-4-3-10-8(7-19)6-17-14(10)15(12)18-13(11)5-9/h1-7,17-18H
InChIKeySPEJLOPLPXXWKF-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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Related Compounds

6-Bromoindole-3-carbaldehyde
CID 2794830
4-Bromo-1H-indole-3-carbaldehyde
CID 2763178
2-((1H-indol-3-yl)methyl)-1H-indole-3-carbaldehyde
CID 10265357
1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
CID 44241505
1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide
CID 44479711
7-(2,4-Difluorophenyl)-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
CID 44480198
6-Bromo-3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-20-one chloride
CID 10430210
1-(1,10-Dihydropyrrolo[2,3-a]carbazol-3-yl)-2,2,2-trifluoroethanone
CID 44479207
7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
CID 44479467
6-Bromo-1,10-dihydropyrrolo(2,3-a)carbazole-3-carbaldehyde
CID 46937301
9-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
CID 46937316
8-Methyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
CID 46937317

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The IUPAC name of 8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (CID 46937315) is 8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.
What is the SMILES notation for 8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The canonical SMILES for 8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is O=Cc1c[nH]c2c1ccc1c3ccc(Br)cc3[nH]c12.
What is the InChIKey of 8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The InChIKey is SPEJLOPLPXXWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O/c16-9-1-2-11-12-4-3-10-8(7-19)6-17-14(10)15(12)18-13(11)5-9/h1-7,17-18H.
What are the key properties of 8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
8-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 8-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is sourced from PubChem (CID 46937315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).