2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide

C14H15N3O — CID 114015633

IUPAC2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ccc2ccc(C#N)cc21
InChIInChI=1S/C14H15N3O/c1-3-16(2)14(18)10-17-7-6-12-5-4-11(9-15)8-13(12)17/h4-8H,3,10H2,1-2H3
InChIKeyYVWWIOYPMWFBKX-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.99
Rot. Bonds3

About 2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide

2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 114015633) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide
PubChem CID114015633
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ccc2ccc(C#N)cc21
InChIInChI=1S/C14H15N3O/c1-3-16(2)14(18)10-17-7-6-12-5-4-11(9-15)8-13(12)17/h4-8H,3,10H2,1-2H3
InChIKeyYVWWIOYPMWFBKX-UHFFFAOYSA-N
XLogP1.99
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide (CID 114015633) is 2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1ccc2ccc(C#N)cc21.
What is the InChIKey of 2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is YVWWIOYPMWFBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-16(2)14(18)10-17-7-6-12-5-4-11(9-15)8-13(12)17/h4-8H,3,10H2,1-2H3.
What are the key properties of 2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide?
2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 241.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 114015633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).