7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

C16H9N3O — CID 58488499

IUPAC7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILES[C-]#[N+]c1ccc2[nH]c3c(ccc4c(C=O)c[nH]c43)c2c1
InChIInChI=1S/C16H9N3O/c1-17-10-2-5-14-13(6-10)12-4-3-11-9(8-20)7-18-15(11)16(12)19-14/h2-8,18-19H
InChIKeyOGTLWZZMADCWDO-UHFFFAOYSA-N
MW259.27 g/mol
LogP4.17
Rot. Bonds1

About 7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (PubChem CID 58488499) has the molecular formula C16H9N3O and a molecular weight of 259.27 g/mol. Its IUPAC name is 7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
PubChem CID58488499
Molecular FormulaC16H9N3O
Molecular Weight259.27 g/mol
Exact Mass259.07
IUPAC Name7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILES[C-]#[N+]c1ccc2[nH]c3c(ccc4c(C=O)c[nH]c43)c2c1
InChIInChI=1S/C16H9N3O/c1-17-10-2-5-14-13(6-10)12-4-3-11-9(8-20)7-18-15(11)16(12)19-14/h2-8,18-19H
InChIKeyOGTLWZZMADCWDO-UHFFFAOYSA-N
XLogP4.17
TPSA53.01 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The IUPAC name of 7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (CID 58488499) is 7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.
What is the SMILES notation for 7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The canonical SMILES for 7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is [C-]#[N+]c1ccc2[nH]c3c(ccc4c(C=O)c[nH]c43)c2c1.
What is the InChIKey of 7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The InChIKey is OGTLWZZMADCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3O/c1-17-10-2-5-14-13(6-10)12-4-3-11-9(8-20)7-18-15(11)16(12)19-14/h2-8,18-19H.
What are the key properties of 7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde has a molecular weight of 259.27 g/mol, XLogP of 4.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isocyano-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is sourced from PubChem (CID 58488499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).