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

C16H20N2O2 — CID 122383976

IUPAC3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
SMILESCOc1ccc2c(c1)C(C)(CC(C)(C)C#N)C(=O)N2C
InChIInChI=1S/C16H20N2O2/c1-15(2,10-17)9-16(3)12-8-11(20-5)6-7-13(12)18(4)14(16)19/h6-8H,9H2,1-5H3
InChIKeyUJPBYCGPWPMFGD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.87
Rot. Bonds3

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

3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile (PubChem CID 122383976) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
PubChem CID122383976
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
SMILESCOc1ccc2c(c1)C(C)(CC(C)(C)C#N)C(=O)N2C
InChIInChI=1S/C16H20N2O2/c1-15(2,10-17)9-16(3)12-8-11(20-5)6-7-13(12)18(4)14(16)19/h6-8H,9H2,1-5H3
InChIKeyUJPBYCGPWPMFGD-UHFFFAOYSA-N
XLogP2.87
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
CID 132558232
2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
CID 24950980
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)methyl thiocyanate
CID 135045386
(6-methoxy-2,4-dimethyl-1,3-dioxoisoquinolin-4-yl)methyl selenocyanate
CID 172557865
5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
CID 68674859
ethyl 3-fluoro-5-methoxy-1-methyl-2-oxoindole-3-carboxylate
CID 162342797
(5-cyano-1,3-dimethyl-2-oxoindol-3-yl)methyl thiocyanate
CID 135045619
tert-butyl 5'-methoxy-1'-methyl-2'-oxospiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 15488102
(2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione
CID 132531797
ethyl 2,2-difluoro-3-(5-iodo-1,3-dimethyl-2-oxoindol-3-yl)propanoate
CID 132820572
3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one
CID 11781702

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile (CID 122383976) is 3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile is COc1ccc2c(c1)C(C)(CC(C)(C)C#N)C(=O)N2C.
What is the InChIKey of 3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
The InChIKey is UJPBYCGPWPMFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(2,10-17)9-16(3)12-8-11(20-5)6-7-13(12)18(4)14(16)19/h6-8H,9H2,1-5H3.
What are the key properties of 3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile has a molecular weight of 272.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 122383976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).