7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine

C13H16N2 — CID 166983690

IUPAC7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine
SMILESC=C1C=CC2=C(N1)C(=C)C(C)C(C)C=N2
InChIInChI=1S/C13H16N2/c1-8-7-14-12-6-5-9(2)15-13(12)11(4)10(8)3/h5-8,10,15H,2,4H2,1,3H3
InChIKeyYUJLOAKAIJRYFW-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.78
Rot. Bonds

About 7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine

7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine (PubChem CID 166983690) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine.

Molecular Properties

Compound Name7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine
PubChem CID166983690
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine
SMILESC=C1C=CC2=C(N1)C(=C)C(C)C(C)C=N2
InChIInChI=1S/C13H16N2/c1-8-7-14-12-6-5-9(2)15-13(12)11(4)10(8)3/h5-8,10,15H,2,4H2,1,3H3
InChIKeyYUJLOAKAIJRYFW-UHFFFAOYSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine?
The IUPAC name of 7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine (CID 166983690) is 7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine.
What is the SMILES notation for 7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine?
The canonical SMILES for 7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine is C=C1C=CC2=C(N1)C(=C)C(C)C(C)C=N2.
What is the InChIKey of 7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine?
The InChIKey is YUJLOAKAIJRYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-8-7-14-12-6-5-9(2)15-13(12)11(4)10(8)3/h5-8,10,15H,2,4H2,1,3H3.
What are the key properties of 7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine?
7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine has a molecular weight of 200.28 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2,9-dimethylidene-7,8-dihydro-1H-pyrido[3,2-b]azepine is sourced from PubChem (CID 166983690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).