1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile

C16H21NO2 — CID 103415058

IUPAC1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile
SMILESCOCCOCCCC1(C#N)CCc2ccccc21
InChIInChI=1S/C16H21NO2/c1-18-11-12-19-10-4-8-16(13-17)9-7-14-5-2-3-6-15(14)16/h2-3,5-6H,4,7-12H2,1H3
InChIKeyYPXUCPQEOHIWOF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.84
Rot. Bonds7

About 1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile

1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile (PubChem CID 103415058) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile
PubChem CID103415058
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile
SMILESCOCCOCCCC1(C#N)CCc2ccccc21
InChIInChI=1S/C16H21NO2/c1-18-11-12-19-10-4-8-16(13-17)9-7-14-5-2-3-6-15(14)16/h2-3,5-6H,4,7-12H2,1H3
InChIKeyYPXUCPQEOHIWOF-UHFFFAOYSA-N
XLogP2.84
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile
CID 65409010
1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile
CID 65407473
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 104650512
1-butyl-2,3-dihydroindene-1-carbonitrile
CID 65408816
1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile
CID 65408044
1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile
CID 114280383
(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile
CID 6925451
4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene
CID 103415407
1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 114277353
1-octyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376390
4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene
CID 103184988
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376812

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile (CID 103415058) is 1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile is COCCOCCCC1(C#N)CCc2ccccc21.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile?
The InChIKey is YPXUCPQEOHIWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-18-11-12-19-10-4-8-16(13-17)9-7-14-5-2-3-6-15(14)16/h2-3,5-6H,4,7-12H2,1H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile?
1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 103415058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).