4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile

C11H10N2O2 — CID 110448244

IUPAC4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile
SMILESCOc1cccc2c1C(=O)N(C)C2C#N
InChIInChI=1S/C11H10N2O2/c1-13-8(6-12)7-4-3-5-9(15-2)10(7)11(13)14/h3-5,8H,1-2H3
InChIKeyALFKFIRYTOHSPF-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.35
Rot. Bonds1

About 4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile

4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile (PubChem CID 110448244) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile
PubChem CID110448244
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile
SMILESCOc1cccc2c1C(=O)N(C)C2C#N
InChIInChI=1S/C11H10N2O2/c1-13-8(6-12)7-4-3-5-9(15-2)10(7)11(13)14/h3-5,8H,1-2H3
InChIKeyALFKFIRYTOHSPF-UHFFFAOYSA-N
XLogP1.35
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethyl)-4-methoxy-3-oxo-1H-isoindole-1-carbonitrile
CID 110448248
(3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one
CID 820535
4-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-oxo-1H-isoindole-1-carbonitrile
CID 110448305
4-methoxy-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-oxo-1H-isoindole-1-carbonitrile
CID 110448294
2-(3-methoxypropyl)-4-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindole-1-carbonitrile
CID 110449479
2-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-oxo-1H-isoindole-1-carbonitrile
CID 110448104
4-chloro-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carbonitrile
CID 110448353
7-methoxy-2-methyl-3H-isoindol-1-one
CID 84717848
2-(2-hydroxypropyl)-4-methyl-3-oxo-1H-isoindole-1-carbonitrile
CID 110448057
7-fluoro-2-[(2-fluorophenyl)methyl]-4-methoxy-3-oxo-1H-isoindole-1-carbonitrile
CID 110448612
2-tert-butyl-4-(dimethylamino)-3-oxo-1H-isoindole-1-carbonitrile
CID 110448484
3-bromo-7-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 150666974

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile?
The IUPAC name of 4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile (CID 110448244) is 4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile.
What is the SMILES notation for 4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile?
The canonical SMILES for 4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile is COc1cccc2c1C(=O)N(C)C2C#N.
What is the InChIKey of 4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile?
The InChIKey is ALFKFIRYTOHSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-13-8(6-12)7-4-3-5-9(15-2)10(7)11(13)14/h3-5,8H,1-2H3.
What are the key properties of 4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile?
4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile has a molecular weight of 202.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-3-oxo-1H-isoindole-1-carbonitrile is sourced from PubChem (CID 110448244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).