2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C16H17N3O2 — CID 2912319

IUPAC2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESN#Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12
InChIInChI=1S/C16H17N3O2/c17-8-12-10-19(15-6-2-1-5-14(12)15)11-16(20)18-9-13-4-3-7-21-13/h1-2,5-6,10,13H,3-4,7,9,11H2,(H,18,20)
InChIKeyHUBHLSWMOOXTLF-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.81
Rot. Bonds4

About 2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2912319) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2912319
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESN#Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12
InChIInChI=1S/C16H17N3O2/c17-8-12-10-19(15-6-2-1-5-14(12)15)11-16(20)18-9-13-4-3-7-21-13/h1-2,5-6,10,13H,3-4,7,9,11H2,(H,18,20)
InChIKeyHUBHLSWMOOXTLF-UHFFFAOYSA-N
XLogP1.81
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-cyanoindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40610787
2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 668670
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
2-[3-[(E)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 5292419
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]acetamide
CID 97465954
N-(oxolan-2-ylmethyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 4212528
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18564611
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
2-[3-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 5292420

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 2912319) is 2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is N#Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12.
What is the InChIKey of 2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HUBHLSWMOOXTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-8-12-10-19(15-6-2-1-5-14(12)15)11-16(20)18-9-13-4-3-7-21-13/h1-2,5-6,10,13H,3-4,7,9,11H2,(H,18,20).
What are the key properties of 2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2912319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).