2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile

C10H8N2O — CID 84766189

IUPAC2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile
SMILESN#CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C10H8N2O/c11-5-4-7-2-1-3-9-8(7)6-10(13)12-9/h1-3H,4,6H2,(H,12,13)
InChIKeyAARKDCZXARFWQF-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.25
Rot. Bonds1

About 2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile

2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile (PubChem CID 84766189) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile
PubChem CID84766189
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile
SMILESN#CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C10H8N2O/c11-5-4-7-2-1-3-9-8(7)6-10(13)12-9/h1-3H,4,6H2,(H,12,13)
InChIKeyAARKDCZXARFWQF-UHFFFAOYSA-N
XLogP1.25
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile?
The IUPAC name of 2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile (CID 84766189) is 2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile?
The canonical SMILES for 2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile is N#CCc1cccc2c1CC(=O)N2.
What is the InChIKey of 2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile?
The InChIKey is AARKDCZXARFWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-5-4-7-2-1-3-9-8(7)6-10(13)12-9/h1-3H,4,6H2,(H,12,13).
What are the key properties of 2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile?
2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile is sourced from PubChem (CID 84766189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).