7-(2-isocyanoethyl)-1H-indole

C11H10N2 — CID 83481079

IUPAC7-(2-isocyanoethyl)-1H-indole
SMILES[C-]#[N+]CCc1cccc2cc[nH]c12
InChIInChI=1S/C11H10N2/c1-12-7-5-9-3-2-4-10-6-8-13-11(9)10/h2-4,6,8,13H,5,7H2
InChIKeyIFGOLLWMDQCADH-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.63
Rot. Bonds2

About 7-(2-isocyanoethyl)-1H-indole

7-(2-isocyanoethyl)-1H-indole (PubChem CID 83481079) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 7-(2-isocyanoethyl)-1H-indole.

Molecular Properties

Compound Name7-(2-isocyanoethyl)-1H-indole
PubChem CID83481079
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name7-(2-isocyanoethyl)-1H-indole
SMILES[C-]#[N+]CCc1cccc2cc[nH]c12
InChIInChI=1S/C11H10N2/c1-12-7-5-9-3-2-4-10-6-8-13-11(9)10/h2-4,6,8,13H,5,7H2
InChIKeyIFGOLLWMDQCADH-UHFFFAOYSA-N
XLogP2.63
TPSA20.15 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-isocyanoethyl)-1H-indole?
The IUPAC name of 7-(2-isocyanoethyl)-1H-indole (CID 83481079) is 7-(2-isocyanoethyl)-1H-indole.
What is the SMILES notation for 7-(2-isocyanoethyl)-1H-indole?
The canonical SMILES for 7-(2-isocyanoethyl)-1H-indole is [C-]#[N+]CCc1cccc2cc[nH]c12.
What is the InChIKey of 7-(2-isocyanoethyl)-1H-indole?
The InChIKey is IFGOLLWMDQCADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-12-7-5-9-3-2-4-10-6-8-13-11(9)10/h2-4,6,8,13H,5,7H2.
What are the key properties of 7-(2-isocyanoethyl)-1H-indole?
7-(2-isocyanoethyl)-1H-indole has a molecular weight of 170.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-isocyanoethyl)-1H-indole is sourced from PubChem (CID 83481079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).