2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile

C13H14N2O2 — CID 605506

IUPAC2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile
SMILESCOc1ccc2c(c1)C(C)(CC#N)C(=O)N2C
InChIInChI=1S/C13H14N2O2/c1-13(6-7-14)10-8-9(17-3)4-5-11(10)15(2)12(13)16/h4-5,8H,6H2,1-3H3
InChIKeyKCTADLCDIAPGCN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.84
Rot. Bonds2

About 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile

2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile (PubChem CID 605506) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile
PubChem CID605506
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile
SMILESCOc1ccc2c(c1)C(C)(CC#N)C(=O)N2C
InChIInChI=1S/C13H14N2O2/c1-13(6-7-14)10-8-9(17-3)4-5-11(10)15(2)12(13)16/h4-5,8H,6H2,1-3H3
InChIKeyKCTADLCDIAPGCN-UHFFFAOYSA-N
XLogP1.84
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile?
The IUPAC name of 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile (CID 605506) is 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile?
The canonical SMILES for 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile is COc1ccc2c(c1)C(C)(CC#N)C(=O)N2C.
What is the InChIKey of 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile?
The InChIKey is KCTADLCDIAPGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-13(6-7-14)10-8-9(17-3)4-5-11(10)15(2)12(13)16/h4-5,8H,6H2,1-3H3.
What are the key properties of 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile?
2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)acetonitrile is sourced from PubChem (CID 605506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).