3-methanimidoyl-1H-indole-6-carbonitrile

C10H7N3 — CID 144683042

IUPAC3-methanimidoyl-1H-indole-6-carbonitrile
SMILES[H]/N=C/c1c[nH]c2cc(C#N)ccc12
InChIInChI=1S/C10H7N3/c11-4-7-1-2-9-8(5-12)6-13-10(9)3-7/h1-3,5-6,12-13H/b12-5+
InChIKeyFHHJJFAXAGBBTA-LFYBBSHMSA-N
MW169.19 g/mol
LogP2.04
Rot. Bonds1

About 3-methanimidoyl-1H-indole-6-carbonitrile

3-methanimidoyl-1H-indole-6-carbonitrile (PubChem CID 144683042) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 3-methanimidoyl-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-methanimidoyl-1H-indole-6-carbonitrile
PubChem CID144683042
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name3-methanimidoyl-1H-indole-6-carbonitrile
SMILES[H]/N=C/c1c[nH]c2cc(C#N)ccc12
InChIInChI=1S/C10H7N3/c11-4-7-1-2-9-8(5-12)6-13-10(9)3-7/h1-3,5-6,12-13H/b12-5+
InChIKeyFHHJJFAXAGBBTA-LFYBBSHMSA-N
XLogP2.04
TPSA63.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-1H-indole-6-carbonitrile?
The IUPAC name of 3-methanimidoyl-1H-indole-6-carbonitrile (CID 144683042) is 3-methanimidoyl-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-methanimidoyl-1H-indole-6-carbonitrile?
The canonical SMILES for 3-methanimidoyl-1H-indole-6-carbonitrile is [H]/N=C/c1c[nH]c2cc(C#N)ccc12.
What is the InChIKey of 3-methanimidoyl-1H-indole-6-carbonitrile?
The InChIKey is FHHJJFAXAGBBTA-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H7N3/c11-4-7-1-2-9-8(5-12)6-13-10(9)3-7/h1-3,5-6,12-13H/b12-5+.
What are the key properties of 3-methanimidoyl-1H-indole-6-carbonitrile?
3-methanimidoyl-1H-indole-6-carbonitrile has a molecular weight of 169.19 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-1H-indole-6-carbonitrile is sourced from PubChem (CID 144683042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).