3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile

C16H19N3O — CID 46230887

IUPAC3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile
SMILESCN1CCOCC1CCc1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C16H19N3O/c1-19-6-7-20-11-14(19)4-3-13-10-18-16-5-2-12(9-17)8-15(13)16/h2,5,8,10,14,18H,3-4,6-7,11H2,1H3
InChIKeyVKYCMXJDUKFFRU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.30
Rot. Bonds3

About 3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile

3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile (PubChem CID 46230887) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile
PubChem CID46230887
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile
SMILESCN1CCOCC1CCc1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C16H19N3O/c1-19-6-7-20-11-14(19)4-3-13-10-18-16-5-2-12(9-17)8-15(13)16/h2,5,8,10,14,18H,3-4,6-7,11H2,1H3
InChIKeyVKYCMXJDUKFFRU-UHFFFAOYSA-N
XLogP2.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile (CID 46230887) is 3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile is CN1CCOCC1CCc1c[nH]c2ccc(C#N)cc12.
What is the InChIKey of 3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile?
The InChIKey is VKYCMXJDUKFFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-6-7-20-11-14(19)4-3-13-10-18-16-5-2-12(9-17)8-15(13)16/h2,5,8,10,14,18H,3-4,6-7,11H2,1H3.
What are the key properties of 3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile?
3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylmorpholin-3-yl)ethyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 46230887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).