1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile

C15H19N — CID 20675919

IUPAC1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile
SMILESCC1C(C)(C)c2cccc(C#N)c2C1(C)C
InChIInChI=1S/C15H19N/c1-10-14(2,3)12-8-6-7-11(9-16)13(12)15(10,4)5/h6-8,10H,1-5H3
InChIKeyCPCVZHLUXPMTJZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.76
Rot. Bonds

About 1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile

1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile (PubChem CID 20675919) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile.

Molecular Properties

Compound Name1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile
PubChem CID20675919
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile
SMILESCC1C(C)(C)c2cccc(C#N)c2C1(C)C
InChIInChI=1S/C15H19N/c1-10-14(2,3)12-8-6-7-11(9-16)13(12)15(10,4)5/h6-8,10H,1-5H3
InChIKeyCPCVZHLUXPMTJZ-UHFFFAOYSA-N
XLogP3.76
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile?
The IUPAC name of 1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile (CID 20675919) is 1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile.
What is the SMILES notation for 1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile?
The canonical SMILES for 1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile is CC1C(C)(C)c2cccc(C#N)c2C1(C)C.
What is the InChIKey of 1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile?
The InChIKey is CPCVZHLUXPMTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-10-14(2,3)12-8-6-7-11(9-16)13(12)15(10,4)5/h6-8,10H,1-5H3.
What are the key properties of 1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile?
1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile has a molecular weight of 213.32 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentamethyl-2H-indene-4-carbonitrile is sourced from PubChem (CID 20675919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).