6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile

C14H17N — CID 55264301

IUPAC6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCC(C)(C)c1ccc2c(c1)C(C#N)CC2
InChIInChI=1S/C14H17N/c1-14(2,3)12-7-6-10-4-5-11(9-15)13(10)8-12/h6-8,11H,4-5H2,1-3H3
InChIKeyGGEBJYMHPZCOIC-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.54
Rot. Bonds

About 6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile

6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile (PubChem CID 55264301) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile
PubChem CID55264301
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCC(C)(C)c1ccc2c(c1)C(C#N)CC2
InChIInChI=1S/C14H17N/c1-14(2,3)12-7-6-10-4-5-11(9-15)13(10)8-12/h6-8,11H,4-5H2,1-3H3
InChIKeyGGEBJYMHPZCOIC-UHFFFAOYSA-N
XLogP3.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile?
The IUPAC name of 6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile (CID 55264301) is 6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile.
What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile?
The canonical SMILES for 6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile is CC(C)(C)c1ccc2c(c1)C(C#N)CC2.
What is the InChIKey of 6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile?
The InChIKey is GGEBJYMHPZCOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-14(2,3)12-7-6-10-4-5-11(9-15)13(10)8-12/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile?
6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile has a molecular weight of 199.30 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile is sourced from PubChem (CID 55264301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).