2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile

C14H18N2O — CID 13264691

IUPAC2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile
SMILESCC1(C)c2ccccc2C(C)(C)N1OCC#N
InChIInChI=1S/C14H18N2O/c1-13(2)11-7-5-6-8-12(11)14(3,4)16(13)17-10-9-15/h5-8H,10H2,1-4H3
InChIKeyMJMDRDDKIMAUBN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.93
Rot. Bonds2

About 2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile

2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile (PubChem CID 13264691) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile
PubChem CID13264691
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile
SMILESCC1(C)c2ccccc2C(C)(C)N1OCC#N
InChIInChI=1S/C14H18N2O/c1-13(2)11-7-5-6-8-12(11)14(3,4)16(13)17-10-9-15/h5-8H,10H2,1-4H3
InChIKeyMJMDRDDKIMAUBN-UHFFFAOYSA-N
XLogP2.93
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile?
The IUPAC name of 2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile (CID 13264691) is 2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile.
What is the SMILES notation for 2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile?
The canonical SMILES for 2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile is CC1(C)c2ccccc2C(C)(C)N1OCC#N.
What is the InChIKey of 2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile?
The InChIKey is MJMDRDDKIMAUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-13(2)11-7-5-6-8-12(11)14(3,4)16(13)17-10-9-15/h5-8H,10H2,1-4H3.
What are the key properties of 2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile?
2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile is sourced from PubChem (CID 13264691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).