(2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile

C11H8N2O2 — CID 121222565

IUPAC(2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile
SMILESCON1C(=O)c2ccccc2/C1=C/C#N
InChIInChI=1S/C11H8N2O2/c1-15-13-10(6-7-12)8-4-2-3-5-9(8)11(13)14/h2-6H,1H3/b10-6-
InChIKeyVNHBOVVXXURION-POHAHGRESA-N
MW200.20 g/mol
LogP1.57
Rot. Bonds1

About (2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile

(2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile (PubChem CID 121222565) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is (2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile.

Molecular Properties

Compound Name(2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile
PubChem CID121222565
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name(2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile
SMILESCON1C(=O)c2ccccc2/C1=C/C#N
InChIInChI=1S/C11H8N2O2/c1-15-13-10(6-7-12)8-4-2-3-5-9(8)11(13)14/h2-6H,1H3/b10-6-
InChIKeyVNHBOVVXXURION-POHAHGRESA-N
XLogP1.57
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile?
The IUPAC name of (2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile (CID 121222565) is (2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile.
What is the SMILES notation for (2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile?
The canonical SMILES for (2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile is CON1C(=O)c2ccccc2/C1=C/C#N.
What is the InChIKey of (2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile?
The InChIKey is VNHBOVVXXURION-POHAHGRESA-N. The full InChI is InChI=1S/C11H8N2O2/c1-15-13-10(6-7-12)8-4-2-3-5-9(8)11(13)14/h2-6H,1H3/b10-6-.
What are the key properties of (2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile?
(2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile has a molecular weight of 200.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-methoxy-3-oxoisoindol-1-ylidene)acetonitrile is sourced from PubChem (CID 121222565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).