1H-indole-7-carbohydrazide

C9H9N3O — CID 712457

IUPAC1H-indole-7-carbohydrazide
SMILESNNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C9H9N3O/c10-12-9(13)7-3-1-2-6-4-5-11-8(6)7/h1-5,11H,10H2,(H,12,13)
InChIKeyNCFMBDUFIJHHAW-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.77
Rot. Bonds1

About 1H-indole-7-carbohydrazide

1H-indole-7-carbohydrazide (PubChem CID 712457) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1H-indole-7-carbohydrazide.

Molecular Properties

Compound Name1H-indole-7-carbohydrazide
PubChem CID712457
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1H-indole-7-carbohydrazide
SMILESNNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C9H9N3O/c10-12-9(13)7-3-1-2-6-4-5-11-8(6)7/h1-5,11H,10H2,(H,12,13)
InChIKeyNCFMBDUFIJHHAW-UHFFFAOYSA-N
XLogP0.77
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1H-indole-7-carbohydrazide?
The IUPAC name of 1H-indole-7-carbohydrazide (CID 712457) is 1H-indole-7-carbohydrazide.
What is the SMILES notation for 1H-indole-7-carbohydrazide?
The canonical SMILES for 1H-indole-7-carbohydrazide is NNC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of 1H-indole-7-carbohydrazide?
The InChIKey is NCFMBDUFIJHHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-12-9(13)7-3-1-2-6-4-5-11-8(6)7/h1-5,11H,10H2,(H,12,13).
What are the key properties of 1H-indole-7-carbohydrazide?
1H-indole-7-carbohydrazide has a molecular weight of 175.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-7-carbohydrazide is sourced from PubChem (CID 712457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).