2-(3-cyano-7-ethylindol-1-yl)acetamide

C13H13N3O — CID 900742

IUPAC2-(3-cyano-7-ethylindol-1-yl)acetamide
SMILESCCc1cccc2c(C#N)cn(CC(N)=O)c12
InChIInChI=1S/C13H13N3O/c1-2-9-4-3-5-11-10(6-14)7-16(13(9)11)8-12(15)17/h3-5,7H,2,8H2,1H3,(H2,15,17)
InChIKeyGWSWBQRLWRAZPA-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.56
Rot. Bonds3

About 2-(3-cyano-7-ethylindol-1-yl)acetamide

2-(3-cyano-7-ethylindol-1-yl)acetamide (PubChem CID 900742) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(3-cyano-7-ethylindol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-7-ethylindol-1-yl)acetamide
PubChem CID900742
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(3-cyano-7-ethylindol-1-yl)acetamide
SMILESCCc1cccc2c(C#N)cn(CC(N)=O)c12
InChIInChI=1S/C13H13N3O/c1-2-9-4-3-5-11-10(6-14)7-16(13(9)11)8-12(15)17/h3-5,7H,2,8H2,1H3,(H2,15,17)
InChIKeyGWSWBQRLWRAZPA-UHFFFAOYSA-N
XLogP1.56
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile
CID 126210727
2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide
CID 5217490
2-[7-ethyl-3-[(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 3441222
N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide
CID 4294067
2-[7-ethyl-3-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]acetamide
CID 44714411
2-(3-cyanoindol-1-yl)-N-propylacetamide
CID 46858778
2-(8-methyl-4-oxoquinolin-1-yl)acetamide
CID 43840086
3-cyano-1-[2-(4-methylanilino)-2-oxoethyl]-N-propan-2-ylindole-7-carboxamide
CID 59745606
2-[4-(hydroxymethyl)indol-1-yl]acetamide
CID 28947081
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate
CID 66487502
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile
CID 3145522

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7-ethylindol-1-yl)acetamide?
The IUPAC name of 2-(3-cyano-7-ethylindol-1-yl)acetamide (CID 900742) is 2-(3-cyano-7-ethylindol-1-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-7-ethylindol-1-yl)acetamide?
The canonical SMILES for 2-(3-cyano-7-ethylindol-1-yl)acetamide is CCc1cccc2c(C#N)cn(CC(N)=O)c12.
What is the InChIKey of 2-(3-cyano-7-ethylindol-1-yl)acetamide?
The InChIKey is GWSWBQRLWRAZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-9-4-3-5-11-10(6-14)7-16(13(9)11)8-12(15)17/h3-5,7H,2,8H2,1H3,(H2,15,17).
What are the key properties of 2-(3-cyano-7-ethylindol-1-yl)acetamide?
2-(3-cyano-7-ethylindol-1-yl)acetamide has a molecular weight of 227.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7-ethylindol-1-yl)acetamide is sourced from PubChem (CID 900742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).