(1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile

C15H18N2 — CID 14611198

IUPAC(1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile
SMILESCC1(C)CCC[C@@]2(C)C1=CC=C(C#N)[C@@H]2C#N
InChIInChI=1S/C15H18N2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5-6,12H,4,7-8H2,1-3H3/t12-,15+/m0/s1
InChIKeyOFAJEINTWIQXNO-SWLSCSKDSA-N
MW226.32 g/mol
LogP3.73
Rot. Bonds

About (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile

(1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile (PubChem CID 14611198) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile.

Molecular Properties

Compound Name(1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile
PubChem CID14611198
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile
SMILESCC1(C)CCC[C@@]2(C)C1=CC=C(C#N)[C@@H]2C#N
InChIInChI=1S/C15H18N2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5-6,12H,4,7-8H2,1-3H3/t12-,15+/m0/s1
InChIKeyOFAJEINTWIQXNO-SWLSCSKDSA-N
XLogP3.73
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile?
The IUPAC name of (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile (CID 14611198) is (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile.
What is the SMILES notation for (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile?
The canonical SMILES for (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile is CC1(C)CCC[C@@]2(C)C1=CC=C(C#N)[C@@H]2C#N.
What is the InChIKey of (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile?
The InChIKey is OFAJEINTWIQXNO-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H18N2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5-6,12H,4,7-8H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile?
(1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile has a molecular weight of 226.32 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile is sourced from PubChem (CID 14611198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).