4-(isocyanomethyl)-1H-indole

C10H8N2 — CID 83479881

IUPAC4-(isocyanomethyl)-1H-indole
SMILES[C-]#[N+]Cc1cccc2[nH]ccc12
InChIInChI=1S/C10H8N2/c1-11-7-8-3-2-4-10-9(8)5-6-12-10/h2-6,12H,7H2
InChIKeyWCHFOMDPTUIOBA-UHFFFAOYSA-N
MW156.19 g/mol
LogP2.59
Rot. Bonds1

About 4-(isocyanomethyl)-1H-indole

4-(isocyanomethyl)-1H-indole (PubChem CID 83479881) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-(isocyanomethyl)-1H-indole.

Molecular Properties

Compound Name4-(isocyanomethyl)-1H-indole
PubChem CID83479881
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name4-(isocyanomethyl)-1H-indole
SMILES[C-]#[N+]Cc1cccc2[nH]ccc12
InChIInChI=1S/C10H8N2/c1-11-7-8-3-2-4-10-9(8)5-6-12-10/h2-6,12H,7H2
InChIKeyWCHFOMDPTUIOBA-UHFFFAOYSA-N
XLogP2.59
TPSA20.15 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 52.59
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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Related Compounds

4-(iodomethyl)-1H-indole
CID 143791617
ethane;1H-indol-4-ylmethanamine
CID 144540106
1H-indol-4-ol
CID 102220556
O-(1H-indol-4-ylmethyl)hydroxylamine
CID 117276139
1-(1H-indol-4-ylmethyl)cyclopropan-1-amine
CID 117280504
4-(2-methylbut-2-enyl)-1H-indole
CID 141009102
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine
CID 131861438
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
4-(3-methylbut-3-enyl)-1H-indole
CID 14010474
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020

Frequently Asked Questions

What is the IUPAC name of 4-(isocyanomethyl)-1H-indole?
The IUPAC name of 4-(isocyanomethyl)-1H-indole (CID 83479881) is 4-(isocyanomethyl)-1H-indole.
What is the SMILES notation for 4-(isocyanomethyl)-1H-indole?
The canonical SMILES for 4-(isocyanomethyl)-1H-indole is [C-]#[N+]Cc1cccc2[nH]ccc12.
What is the InChIKey of 4-(isocyanomethyl)-1H-indole?
The InChIKey is WCHFOMDPTUIOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-11-7-8-3-2-4-10-9(8)5-6-12-10/h2-6,12H,7H2.
What are the key properties of 4-(isocyanomethyl)-1H-indole?
4-(isocyanomethyl)-1H-indole has a molecular weight of 156.19 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(isocyanomethyl)-1H-indole is sourced from PubChem (CID 83479881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).