N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide

C13H13N3O2 — CID 71463252

IUPACN-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CC#N)C(=O)N2C
InChIInChI=1S/C13H13N3O2/c1-8(17)15-9-3-4-12-11(7-9)10(5-6-14)13(18)16(12)2/h3-4,7,10H,5H2,1-2H3,(H,15,17)
InChIKeyPFJVUECMVVMLTI-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.62
Rot. Bonds2

About N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide

N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide (PubChem CID 71463252) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide
PubChem CID71463252
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CC#N)C(=O)N2C
InChIInChI=1S/C13H13N3O2/c1-8(17)15-9-3-4-12-11(7-9)10(5-6-14)13(18)16(12)2/h3-4,7,10H,5H2,1-2H3,(H,15,17)
InChIKeyPFJVUECMVVMLTI-UHFFFAOYSA-N
XLogP1.62
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide?
The IUPAC name of N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide (CID 71463252) is N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide.
What is the SMILES notation for N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide?
The canonical SMILES for N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(CC#N)C(=O)N2C.
What is the InChIKey of N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide?
The InChIKey is PFJVUECMVVMLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8(17)15-9-3-4-12-11(7-9)10(5-6-14)13(18)16(12)2/h3-4,7,10H,5H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide?
N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide has a molecular weight of 243.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethyl)-1-methyl-2-oxo-3H-indol-5-yl]acetamide is sourced from PubChem (CID 71463252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).