8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C13H15N3O — CID 142652454

IUPAC8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3N
InChIInChI=1S/C13H15N3O/c14-10-3-1-2-8-9-6-7(13(15)17)4-5-11(9)16-12(8)10/h4-6,10,16H,1-3,14H2,(H2,15,17)
InChIKeyQSNQAZXLDTUXPZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.60
Rot. Bonds1

About 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 142652454) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID142652454
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3N
InChIInChI=1S/C13H15N3O/c14-10-3-1-2-8-9-6-7(13(15)17)4-5-11(9)16-12(8)10/h4-6,10,16H,1-3,14H2,(H2,15,17)
InChIKeyQSNQAZXLDTUXPZ-UHFFFAOYSA-N
XLogP1.60
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 142652454) is 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3N.
What is the InChIKey of 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is QSNQAZXLDTUXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-10-3-1-2-8-9-6-7(13(15)17)4-5-11(9)16-12(8)10/h4-6,10,16H,1-3,14H2,(H2,15,17).
What are the key properties of 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 142652454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).