1-butyl-2,3-dihydroindene-1-carbonitrile

C14H17N — CID 65408816

IUPAC1-butyl-2,3-dihydroindene-1-carbonitrile
SMILESCCCCC1(C#N)CCc2ccccc21
InChIInChI=1S/C14H17N/c1-2-3-9-14(11-15)10-8-12-6-4-5-7-13(12)14/h4-7H,2-3,8-10H2,1H3
InChIKeyOVMMZEQXKWAXLX-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.58
Rot. Bonds3

About 1-butyl-2,3-dihydroindene-1-carbonitrile

1-butyl-2,3-dihydroindene-1-carbonitrile (PubChem CID 65408816) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-butyl-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-butyl-2,3-dihydroindene-1-carbonitrile
PubChem CID65408816
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-butyl-2,3-dihydroindene-1-carbonitrile
SMILESCCCCC1(C#N)CCc2ccccc21
InChIInChI=1S/C14H17N/c1-2-3-9-14(11-15)10-8-12-6-4-5-7-13(12)14/h4-7H,2-3,8-10H2,1H3
InChIKeyOVMMZEQXKWAXLX-UHFFFAOYSA-N
XLogP3.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-butyl-2,3-dihydroindene-1-carbonitrile (CID 65408816) is 1-butyl-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-butyl-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-butyl-2,3-dihydroindene-1-carbonitrile is CCCCC1(C#N)CCc2ccccc21.
What is the InChIKey of 1-butyl-2,3-dihydroindene-1-carbonitrile?
The InChIKey is OVMMZEQXKWAXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-3-9-14(11-15)10-8-12-6-4-5-7-13(12)14/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-butyl-2,3-dihydroindene-1-carbonitrile?
1-butyl-2,3-dihydroindene-1-carbonitrile has a molecular weight of 199.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 65408816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).