3-methyl-2,7-dimethylidene-1H-azonine

C11H13N — CID 155481641

IUPAC3-methyl-2,7-dimethylidene-1H-azonine
SMILESC=c1cccc(C)c(=C)[nH]cc1
InChIInChI=1S/C11H13N/c1-9-5-4-6-10(2)11(3)12-8-7-9/h4-8,12H,1,3H2,2H3/b5-4-,8-7-,10-6-
InChIKeyHCDLRBRGBXNNSL-GSIBVPERSA-N
MW159.23 g/mol
LogP1.27
Rot. Bonds

About 3-methyl-2,7-dimethylidene-1H-azonine

3-methyl-2,7-dimethylidene-1H-azonine (PubChem CID 155481641) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-methyl-2,7-dimethylidene-1H-azonine.

Molecular Properties

Compound Name3-methyl-2,7-dimethylidene-1H-azonine
PubChem CID155481641
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-methyl-2,7-dimethylidene-1H-azonine
SMILESC=c1cccc(C)c(=C)[nH]cc1
InChIInChI=1S/C11H13N/c1-9-5-4-6-10(2)11(3)12-8-7-9/h4-8,12H,1,3H2,2H3/b5-4-,8-7-,10-6-
InChIKeyHCDLRBRGBXNNSL-GSIBVPERSA-N
XLogP1.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,7-dimethylidene-1H-azonine?
The IUPAC name of 3-methyl-2,7-dimethylidene-1H-azonine (CID 155481641) is 3-methyl-2,7-dimethylidene-1H-azonine.
What is the SMILES notation for 3-methyl-2,7-dimethylidene-1H-azonine?
The canonical SMILES for 3-methyl-2,7-dimethylidene-1H-azonine is C=c1cccc(C)c(=C)[nH]cc1.
What is the InChIKey of 3-methyl-2,7-dimethylidene-1H-azonine?
The InChIKey is HCDLRBRGBXNNSL-GSIBVPERSA-N. The full InChI is InChI=1S/C11H13N/c1-9-5-4-6-10(2)11(3)12-8-7-9/h4-8,12H,1,3H2,2H3/b5-4-,8-7-,10-6-.
What are the key properties of 3-methyl-2,7-dimethylidene-1H-azonine?
3-methyl-2,7-dimethylidene-1H-azonine has a molecular weight of 159.23 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,7-dimethylidene-1H-azonine is sourced from PubChem (CID 155481641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).