7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile

C12H14N2 — CID 166893007

IUPAC7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile
SMILESC=C1NC=CC2=C1CC(C)(C#N)CC2
InChIInChI=1S/C12H14N2/c1-9-11-7-12(2,8-13)5-3-10(11)4-6-14-9/h4,6,14H,1,3,5,7H2,2H3
InChIKeyQRNBQGUESPKGJR-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.63
Rot. Bonds

About 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile

7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile (PubChem CID 166893007) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile.

Molecular Properties

Compound Name7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile
PubChem CID166893007
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile
SMILESC=C1NC=CC2=C1CC(C)(C#N)CC2
InChIInChI=1S/C12H14N2/c1-9-11-7-12(2,8-13)5-3-10(11)4-6-14-9/h4,6,14H,1,3,5,7H2,2H3
InChIKeyQRNBQGUESPKGJR-UHFFFAOYSA-N
XLogP2.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile?
The IUPAC name of 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile (CID 166893007) is 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile.
What is the SMILES notation for 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile?
The canonical SMILES for 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile is C=C1NC=CC2=C1CC(C)(C#N)CC2.
What is the InChIKey of 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile?
The InChIKey is QRNBQGUESPKGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-11-7-12(2,8-13)5-3-10(11)4-6-14-9/h4,6,14H,1,3,5,7H2,2H3.
What are the key properties of 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile?
7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile is sourced from PubChem (CID 166893007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).