6-methoxy-1H-indole-3-carbonitrile

C10H8N2O — CID 53401197

IUPAC6-methoxy-1H-indole-3-carbonitrile
SMILESCOc1ccc2c(C#N)c[nH]c2c1
InChIInChI=1S/C10H8N2O/c1-13-8-2-3-9-7(5-11)6-12-10(9)4-8/h2-4,6,12H,1H3
InChIKeySLAJCUNVFURSMK-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.05
Rot. Bonds1

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

6-methoxy-1H-indole-3-carbonitrile (PubChem CID 53401197) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 6-methoxy-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-1H-indole-3-carbonitrile
PubChem CID53401197
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name6-methoxy-1H-indole-3-carbonitrile
SMILESCOc1ccc2c(C#N)c[nH]c2c1
InChIInChI=1S/C10H8N2O/c1-13-8-2-3-9-7(5-11)6-12-10(9)4-8/h2-4,6,12H,1H3
InChIKeySLAJCUNVFURSMK-UHFFFAOYSA-N
XLogP2.05
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
6-chloro-1H-indole-3-carbonitrile
CID 34177040
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
7-methoxy-9H-carbazole-2-carbonitrile
CID 10775390
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754
3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole
CID 55263522
4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 24850006
7-methoxy-2-sulfanylidene-1H-quinoline-3-carbonitrile
CID 865244
6-methoxy-3-(2-nitroethyl)-1H-indole
CID 71331242
3-(6-methoxy-1H-indol-3-yl)prop-2-enal
CID 71445769
methyl 3-cyano-1H-indole-5-carboxylate
CID 19603726

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-indole-3-carbonitrile?
The IUPAC name of 6-methoxy-1H-indole-3-carbonitrile (CID 53401197) is 6-methoxy-1H-indole-3-carbonitrile.
What is the SMILES notation for 6-methoxy-1H-indole-3-carbonitrile?
The canonical SMILES for 6-methoxy-1H-indole-3-carbonitrile is COc1ccc2c(C#N)c[nH]c2c1.
What is the InChIKey of 6-methoxy-1H-indole-3-carbonitrile?
The InChIKey is SLAJCUNVFURSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-13-8-2-3-9-7(5-11)6-12-10(9)4-8/h2-4,6,12H,1H3.
What are the key properties of 6-methoxy-1H-indole-3-carbonitrile?
6-methoxy-1H-indole-3-carbonitrile has a molecular weight of 172.19 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-indole-3-carbonitrile is sourced from PubChem (CID 53401197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).