3-(2-oxoindol-5-yl)propanenitrile

C11H8N2O — CID 69088244

IUPAC3-(2-oxoindol-5-yl)propanenitrile
SMILESN#CCCc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H8N2O/c12-5-1-2-8-3-4-10-9(6-8)7-11(14)13-10/h3-4,6-7H,1-2H2
InChIKeyMANBLDQYHWXRPX-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.08
Rot. Bonds2

About 3-(2-oxoindol-5-yl)propanenitrile

3-(2-oxoindol-5-yl)propanenitrile (PubChem CID 69088244) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-(2-oxoindol-5-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-oxoindol-5-yl)propanenitrile
PubChem CID69088244
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3-(2-oxoindol-5-yl)propanenitrile
SMILESN#CCCc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H8N2O/c12-5-1-2-8-3-4-10-9(6-8)7-11(14)13-10/h3-4,6-7H,1-2H2
InChIKeyMANBLDQYHWXRPX-UHFFFAOYSA-N
XLogP0.08
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoindol-5-yl)propanenitrile?
The IUPAC name of 3-(2-oxoindol-5-yl)propanenitrile (CID 69088244) is 3-(2-oxoindol-5-yl)propanenitrile.
What is the SMILES notation for 3-(2-oxoindol-5-yl)propanenitrile?
The canonical SMILES for 3-(2-oxoindol-5-yl)propanenitrile is N#CCCc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 3-(2-oxoindol-5-yl)propanenitrile?
The InChIKey is MANBLDQYHWXRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c12-5-1-2-8-3-4-10-9(6-8)7-11(14)13-10/h3-4,6-7H,1-2H2.
What are the key properties of 3-(2-oxoindol-5-yl)propanenitrile?
3-(2-oxoindol-5-yl)propanenitrile has a molecular weight of 184.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoindol-5-yl)propanenitrile is sourced from PubChem (CID 69088244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).