6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide

C13H15BrN2O — CID 143085891

IUPAC6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3.NC=O
InChIInChI=1S/C12H12BrN.CH3NO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;2-1-3/h5-7,14H,1-4H2;1H,(H2,2,3)
InChIKeyOJZAITYPPLJGMN-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.91
Rot. Bonds

About 6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide

6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide (PubChem CID 143085891) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide.

Molecular Properties

Compound Name6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
PubChem CID143085891
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3.NC=O
InChIInChI=1S/C12H12BrN.CH3NO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;2-1-3/h5-7,14H,1-4H2;1H,(H2,2,3)
InChIKeyOJZAITYPPLJGMN-UHFFFAOYSA-N
XLogP2.91
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide?
The IUPAC name of 6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide (CID 143085891) is 6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide.
What is the SMILES notation for 6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide?
The canonical SMILES for 6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide is Brc1ccc2[nH]c3c(c2c1)CCCC3.NC=O.
What is the InChIKey of 6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide?
The InChIKey is OJZAITYPPLJGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN.CH3NO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;2-1-3/h5-7,14H,1-4H2;1H,(H2,2,3).
What are the key properties of 6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide?
6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide has a molecular weight of 295.18 g/mol, XLogP of 2.91, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide is sourced from PubChem (CID 143085891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).