2,7-dimethylideneazecine

C11H11N — CID 129142261

IUPAC2,7-dimethylideneazecine
SMILESC=c1ccccc(=C)nccc1
InChIInChI=1S/C11H11N/c1-10-6-3-4-8-11(2)12-9-5-7-10/h3-9H,1-2H2/b6-3-,7-5-,8-4-,12-9-
InChIKeyVBVAUIOGAPJLDU-HWLFYGFLSA-N
MW157.22 g/mol
LogP1.03
Rot. Bonds

About 2,7-dimethylideneazecine

2,7-dimethylideneazecine (PubChem CID 129142261) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 2,7-dimethylideneazecine.

Molecular Properties

Compound Name2,7-dimethylideneazecine
PubChem CID129142261
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name2,7-dimethylideneazecine
SMILESC=c1ccccc(=C)nccc1
InChIInChI=1S/C11H11N/c1-10-6-3-4-8-11(2)12-9-5-7-10/h3-9H,1-2H2/b6-3-,7-5-,8-4-,12-9-
InChIKeyVBVAUIOGAPJLDU-HWLFYGFLSA-N
XLogP1.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylideneazecine?
The IUPAC name of 2,7-dimethylideneazecine (CID 129142261) is 2,7-dimethylideneazecine.
What is the SMILES notation for 2,7-dimethylideneazecine?
The canonical SMILES for 2,7-dimethylideneazecine is C=c1ccccc(=C)nccc1.
What is the InChIKey of 2,7-dimethylideneazecine?
The InChIKey is VBVAUIOGAPJLDU-HWLFYGFLSA-N. The full InChI is InChI=1S/C11H11N/c1-10-6-3-4-8-11(2)12-9-5-7-10/h3-9H,1-2H2/b6-3-,7-5-,8-4-,12-9-.
What are the key properties of 2,7-dimethylideneazecine?
2,7-dimethylideneazecine has a molecular weight of 157.22 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylideneazecine is sourced from PubChem (CID 129142261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).