sodium 1H-indole-7-carbonylazanide

C9H7N2NaO — CID 158877903

IUPACsodium 1H-indole-7-carbonylazanide
SMILES[NH-]C(=O)c1cccc2cc[nH]c12.[Na+]
InChIInChI=1S/C9H8N2O.Na/c10-9(12)7-3-1-2-6-4-5-11-8(6)7;/h1-5H,(H3,10,11,12);/q;+1/p-1
InChIKeyJCQYXIOVWUNBLS-UHFFFAOYSA-M
MW182.16 g/mol
LogP-0.64
Rot. Bonds1

About sodium 1H-indole-7-carbonylazanide

sodium 1H-indole-7-carbonylazanide (PubChem CID 158877903) has the molecular formula C9H7N2NaO and a molecular weight of 182.16 g/mol. Its IUPAC name is sodium 1H-indole-7-carbonylazanide.

Molecular Properties

Compound Namesodium 1H-indole-7-carbonylazanide
PubChem CID158877903
Molecular FormulaC9H7N2NaO
Molecular Weight182.16 g/mol
Exact Mass182.05
IUPAC Namesodium 1H-indole-7-carbonylazanide
SMILES[NH-]C(=O)c1cccc2cc[nH]c12.[Na+]
InChIInChI=1S/C9H8N2O.Na/c10-9(12)7-3-1-2-6-4-5-11-8(6)7;/h1-5H,(H3,10,11,12);/q;+1/p-1
InChIKeyJCQYXIOVWUNBLS-UHFFFAOYSA-M
XLogP-0.64
TPSA56.66 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 1H-indole-7-carbonylazanide?
The IUPAC name of sodium 1H-indole-7-carbonylazanide (CID 158877903) is sodium 1H-indole-7-carbonylazanide.
What is the SMILES notation for sodium 1H-indole-7-carbonylazanide?
The canonical SMILES for sodium 1H-indole-7-carbonylazanide is [NH-]C(=O)c1cccc2cc[nH]c12.[Na+].
What is the InChIKey of sodium 1H-indole-7-carbonylazanide?
The InChIKey is JCQYXIOVWUNBLS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N2O.Na/c10-9(12)7-3-1-2-6-4-5-11-8(6)7;/h1-5H,(H3,10,11,12);/q;+1/p-1.
What are the key properties of sodium 1H-indole-7-carbonylazanide?
sodium 1H-indole-7-carbonylazanide has a molecular weight of 182.16 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1H-indole-7-carbonylazanide is sourced from PubChem (CID 158877903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).