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

C14H17NO — CID 65409010

IUPAC1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile
SMILESCOCCCC1(C#N)CCc2ccccc21
InChIInChI=1S/C14H17NO/c1-16-10-4-8-14(11-15)9-7-12-5-2-3-6-13(12)14/h2-3,5-6H,4,7-10H2,1H3
InChIKeyGBDGJBNCZJBJBX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.82
Rot. Bonds4

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

1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 65409010) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile
PubChem CID65409010
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile
SMILESCOCCCC1(C#N)CCc2ccccc21
InChIInChI=1S/C14H17NO/c1-16-10-4-8-14(11-15)9-7-12-5-2-3-6-13(12)14/h2-3,5-6H,4,7-10H2,1H3
InChIKeyGBDGJBNCZJBJBX-UHFFFAOYSA-N
XLogP2.82
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile
CID 103415058
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
1-octyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376390
1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 114277353
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376812
1-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dihydroindene-1-carbonitrile
CID 65407849
4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene
CID 103184988

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile (CID 65409010) is 1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile is COCCCC1(C#N)CCc2ccccc21.
What is the InChIKey of 1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is GBDGJBNCZJBJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-16-10-4-8-14(11-15)9-7-12-5-2-3-6-13(12)14/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile?
1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 65409010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).