1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile

C13H15NO — CID 65407473

IUPAC1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile
SMILESCOCCC1(C#N)CCc2ccccc21
InChIInChI=1S/C13H15NO/c1-15-9-8-13(10-14)7-6-11-4-2-3-5-12(11)13/h2-5H,6-9H2,1H3
InChIKeyBJSPWHJSRMODGV-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.43
Rot. Bonds3

About 1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile

1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 65407473) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile
PubChem CID65407473
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile
SMILESCOCCC1(C#N)CCc2ccccc21
InChIInChI=1S/C13H15NO/c1-15-9-8-13(10-14)7-6-11-4-2-3-5-12(11)13/h2-5H,6-9H2,1H3
InChIKeyBJSPWHJSRMODGV-UHFFFAOYSA-N
XLogP2.43
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile (CID 65407473) is 1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile is COCCC1(C#N)CCc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is BJSPWHJSRMODGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-15-9-8-13(10-14)7-6-11-4-2-3-5-12(11)13/h2-5H,6-9H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile?
1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 65407473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).