benzo[cd]indole-6-carboxamide

C12H8N2O — CID 141026744

IUPACbenzo[cd]indole-6-carboxamide
SMILESNC(=O)c1ccc2c3c(cccc13)C=N2
InChIInChI=1S/C12H8N2O/c13-12(15)9-4-5-10-11-7(6-14-10)2-1-3-8(9)11/h1-6H,(H2,13,15)
InChIKeyXSCQITXENISRBZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.00
Rot. Bonds1

About benzo[cd]indole-6-carboxamide

benzo[cd]indole-6-carboxamide (PubChem CID 141026744) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is benzo[cd]indole-6-carboxamide.

Molecular Properties

Compound Namebenzo[cd]indole-6-carboxamide
PubChem CID141026744
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Namebenzo[cd]indole-6-carboxamide
SMILESNC(=O)c1ccc2c3c(cccc13)C=N2
InChIInChI=1S/C12H8N2O/c13-12(15)9-4-5-10-11-7(6-14-10)2-1-3-8(9)11/h1-6H,(H2,13,15)
InChIKeyXSCQITXENISRBZ-UHFFFAOYSA-N
XLogP2.00
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[cd]indole-6-carboxamide?
The IUPAC name of benzo[cd]indole-6-carboxamide (CID 141026744) is benzo[cd]indole-6-carboxamide.
What is the SMILES notation for benzo[cd]indole-6-carboxamide?
The canonical SMILES for benzo[cd]indole-6-carboxamide is NC(=O)c1ccc2c3c(cccc13)C=N2.
What is the InChIKey of benzo[cd]indole-6-carboxamide?
The InChIKey is XSCQITXENISRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c13-12(15)9-4-5-10-11-7(6-14-10)2-1-3-8(9)11/h1-6H,(H2,13,15).
What are the key properties of benzo[cd]indole-6-carboxamide?
benzo[cd]indole-6-carboxamide has a molecular weight of 196.21 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[cd]indole-6-carboxamide is sourced from PubChem (CID 141026744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).