methane;3-methyl-1H-indole-4-carbonitrile

C11H12N2 — CID 161218603

IUPACmethane;3-methyl-1H-indole-4-carbonitrile
SMILESC.Cc1c[nH]c2cccc(C#N)c12
InChIInChI=1S/C10H8N2.CH4/c1-7-6-12-9-4-2-3-8(5-11)10(7)9;/h2-4,6,12H,1H3;1H4
InChIKeyUXEZOXLULAQIFX-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.98
Rot. Bonds

About methane;3-methyl-1H-indole-4-carbonitrile

methane;3-methyl-1H-indole-4-carbonitrile (PubChem CID 161218603) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methane;3-methyl-1H-indole-4-carbonitrile.

Molecular Properties

Compound Namemethane;3-methyl-1H-indole-4-carbonitrile
PubChem CID161218603
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Namemethane;3-methyl-1H-indole-4-carbonitrile
SMILESC.Cc1c[nH]c2cccc(C#N)c12
InChIInChI=1S/C10H8N2.CH4/c1-7-6-12-9-4-2-3-8(5-11)10(7)9;/h2-4,6,12H,1H3;1H4
InChIKeyUXEZOXLULAQIFX-UHFFFAOYSA-N
XLogP2.98
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-1H-indole-4-carbonitrile?
The IUPAC name of methane;3-methyl-1H-indole-4-carbonitrile (CID 161218603) is methane;3-methyl-1H-indole-4-carbonitrile.
What is the SMILES notation for methane;3-methyl-1H-indole-4-carbonitrile?
The canonical SMILES for methane;3-methyl-1H-indole-4-carbonitrile is C.Cc1c[nH]c2cccc(C#N)c12.
What is the InChIKey of methane;3-methyl-1H-indole-4-carbonitrile?
The InChIKey is UXEZOXLULAQIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.CH4/c1-7-6-12-9-4-2-3-8(5-11)10(7)9;/h2-4,6,12H,1H3;1H4.
What are the key properties of methane;3-methyl-1H-indole-4-carbonitrile?
methane;3-methyl-1H-indole-4-carbonitrile has a molecular weight of 172.23 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-1H-indole-4-carbonitrile is sourced from PubChem (CID 161218603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).