8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde

C17H14N2O — CID 88563347

IUPAC8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESCc1ccc2c3ccc4c(C=O)c[nH]c4c3n(C)c2c1
InChIInChI=1S/C17H14N2O/c1-10-3-4-13-14-6-5-12-11(9-20)8-18-16(12)17(14)19(2)15(13)7-10/h3-9,18H,1-2H3
InChIKeyQPIJWMULBIMXAK-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.93
Rot. Bonds1

About 8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde

8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde (PubChem CID 88563347) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde
PubChem CID88563347
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESCc1ccc2c3ccc4c(C=O)c[nH]c4c3n(C)c2c1
InChIInChI=1S/C17H14N2O/c1-10-3-4-13-14-6-5-12-11(9-20)8-18-16(12)17(14)19(2)15(13)7-10/h3-9,18H,1-2H3
InChIKeyQPIJWMULBIMXAK-UHFFFAOYSA-N
XLogP3.93
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde?
The IUPAC name of 8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde (CID 88563347) is 8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde.
What is the SMILES notation for 8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde?
The canonical SMILES for 8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde is Cc1ccc2c3ccc4c(C=O)c[nH]c4c3n(C)c2c1.
What is the InChIKey of 8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde?
The InChIKey is QPIJWMULBIMXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-10-3-4-13-14-6-5-12-11(9-20)8-18-16(12)17(14)19(2)15(13)7-10/h3-9,18H,1-2H3.
What are the key properties of 8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde?
8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-1H-pyrrolo[2,3-a]carbazole-3-carbaldehyde is sourced from PubChem (CID 88563347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).