3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile

C15H16N2O — CID 156814215

IUPAC3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile
SMILESCc1c(C2CCOCC2)[nH]c2ccc(C#N)cc12
InChIInChI=1S/C15H16N2O/c1-10-13-8-11(9-16)2-3-14(13)17-15(10)12-4-6-18-7-5-12/h2-3,8,12,17H,4-7H2,1H3
InChIKeyPRNXOHCYJIHILI-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.24
Rot. Bonds1

About 3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile

3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile (PubChem CID 156814215) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile
PubChem CID156814215
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile
SMILESCc1c(C2CCOCC2)[nH]c2ccc(C#N)cc12
InChIInChI=1S/C15H16N2O/c1-10-13-8-11(9-16)2-3-14(13)17-15(10)12-4-6-18-7-5-12/h2-3,8,12,17H,4-7H2,1H3
InChIKeyPRNXOHCYJIHILI-UHFFFAOYSA-N
XLogP3.24
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile (CID 156814215) is 3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile is Cc1c(C2CCOCC2)[nH]c2ccc(C#N)cc12.
What is the InChIKey of 3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile?
The InChIKey is PRNXOHCYJIHILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-13-8-11(9-16)2-3-14(13)17-15(10)12-4-6-18-7-5-12/h2-3,8,12,17H,4-7H2,1H3.
What are the key properties of 3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile?
3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxan-4-yl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 156814215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).