2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C17H19N3O2 — CID 668670

IUPAC2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1c(C#N)c2ccccc2n1CC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C17H19N3O2/c1-12-15(9-18)14-6-2-3-7-16(14)20(12)11-17(21)19-10-13-5-4-8-22-13/h2-3,6-7,13H,4-5,8,10-11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyGWWUZDCAEUINOC-CYBMUJFWSA-N
MW297.36 g/mol
LogP2.12
Rot. Bonds4

About 2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 668670) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID668670
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1c(C#N)c2ccccc2n1CC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C17H19N3O2/c1-12-15(9-18)14-6-2-3-7-16(14)20(12)11-17(21)19-10-13-5-4-8-22-13/h2-3,6-7,13H,4-5,8,10-11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyGWWUZDCAEUINOC-CYBMUJFWSA-N
XLogP2.12
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide iodide
CID 171669005
2-[2-methyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 143304643
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46925423
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
2-[3-[(Z)-(1-ethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 6262622
2-[3-[(1-ethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 5069919
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17033154
2-(5-bromo-3-cyanoindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40610787
(Z)-3-(1-benzyl-2-methylindol-3-yl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 21212314

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 668670) is 2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1c(C#N)c2ccccc2n1CC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is GWWUZDCAEUINOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-15(9-18)14-6-2-3-7-16(14)20(12)11-17(21)19-10-13-5-4-8-22-13/h2-3,6-7,13H,4-5,8,10-11H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 668670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).