N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide

C12H11N3O2 — CID 71452564

IUPACN-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CC#N)C(=O)N2
InChIInChI=1S/C12H11N3O2/c1-7(16)14-8-2-3-11-10(6-8)9(4-5-13)12(17)15-11/h2-3,6,9H,4H2,1H3,(H,14,16)(H,15,17)
InChIKeyPHUHSVPYODZXAY-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.59
Rot. Bonds2

About N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide

N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide (PubChem CID 71452564) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide
PubChem CID71452564
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CC#N)C(=O)N2
InChIInChI=1S/C12H11N3O2/c1-7(16)14-8-2-3-11-10(6-8)9(4-5-13)12(17)15-11/h2-3,6,9H,4H2,1H3,(H,14,16)(H,15,17)
InChIKeyPHUHSVPYODZXAY-UHFFFAOYSA-N
XLogP1.59
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide?
The IUPAC name of N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide (CID 71452564) is N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide.
What is the SMILES notation for N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide?
The canonical SMILES for N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(CC#N)C(=O)N2.
What is the InChIKey of N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide?
The InChIKey is PHUHSVPYODZXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7(16)14-8-2-3-11-10(6-8)9(4-5-13)12(17)15-11/h2-3,6,9H,4H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide?
N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide has a molecular weight of 229.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide is sourced from PubChem (CID 71452564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).