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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Related Compounds

2-(5-Methoxy-2-oxo-1-phenethyl-1,2-dihydro-indol-3-ylidene)-malononitrile
CID 4020724
N-[5-methoxy-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-yl]acetamide
CID 3159328
methyl 3-(5-hydroxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)propyl(methyl)carbamate
CID 3102997
5-Methoxyoxindole
CID 1514286
5-methoxy-1-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 3981211
2-Oxomelatonin
CID 9859734
N-(5-methoxy-2-oxo-1-propyl-3H-indol-3-yl)acetamide
CID 665380
2-amino-1'-[(3-methoxyphenyl)methyl]-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
CID 2962015
3-[(3-fluorophenyl)methyl]-3-methyl-5-(trifluoromethoxy)-1H-indol-2-one
CID 49789222
3-(2-Aminoethyl)-5-methoxy-1,3-dimethyl-2-indolone
CID 605729
2-(5-Methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile
CID 10976543
1-(5-Methoxyindolin-1-yl)ethanone
CID 12626091

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).