6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide

C13H15N3O — CID 838327

IUPAC6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
SMILESNNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H15N3O/c14-16-13(17)8-5-6-12-10(7-8)9-3-1-2-4-11(9)15-12/h5-7,15H,1-4,14H2,(H,16,17)
InChIKeyWMOBXLDPECZNAT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.65
Rot. Bonds1

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

6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide (PubChem CID 838327) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
PubChem CID838327
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
SMILESNNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H15N3O/c14-16-13(17)8-5-6-12-10(7-8)9-3-1-2-4-11(9)15-12/h5-7,15H,1-4,14H2,(H,16,17)
InChIKeyWMOBXLDPECZNAT-UHFFFAOYSA-N
XLogP1.65
TPSA70.91 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 ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The IUPAC name of 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide (CID 838327) is 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide is NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The InChIKey is WMOBXLDPECZNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-16-13(17)8-5-6-12-10(7-8)9-3-1-2-4-11(9)15-12/h5-7,15H,1-4,14H2,(H,16,17).
What are the key properties of 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide has a molecular weight of 229.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide is sourced from PubChem (CID 838327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).