6,6-dimethylpyrido[2,3-b]azepine

C11H12N2 — CID 154549840

IUPAC6,6-dimethylpyrido[2,3-b]azepine
SMILESCC1(C)C=CN=c2ncccc2=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-7-13-10-9(8-11)4-3-6-12-10/h3-8H,1-2H3
InChIKeyWMVKXADFNRFNAA-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.04
Rot. Bonds

About 6,6-dimethylpyrido[2,3-b]azepine

6,6-dimethylpyrido[2,3-b]azepine (PubChem CID 154549840) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6,6-dimethylpyrido[2,3-b]azepine.

Molecular Properties

Compound Name6,6-dimethylpyrido[2,3-b]azepine
PubChem CID154549840
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name6,6-dimethylpyrido[2,3-b]azepine
SMILESCC1(C)C=CN=c2ncccc2=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-7-13-10-9(8-11)4-3-6-12-10/h3-8H,1-2H3
InChIKeyWMVKXADFNRFNAA-UHFFFAOYSA-N
XLogP1.04
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylpyrido[2,3-b]azepine?
The IUPAC name of 6,6-dimethylpyrido[2,3-b]azepine (CID 154549840) is 6,6-dimethylpyrido[2,3-b]azepine.
What is the SMILES notation for 6,6-dimethylpyrido[2,3-b]azepine?
The canonical SMILES for 6,6-dimethylpyrido[2,3-b]azepine is CC1(C)C=CN=c2ncccc2=C1.
What is the InChIKey of 6,6-dimethylpyrido[2,3-b]azepine?
The InChIKey is WMVKXADFNRFNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-11(2)5-7-13-10-9(8-11)4-3-6-12-10/h3-8H,1-2H3.
What are the key properties of 6,6-dimethylpyrido[2,3-b]azepine?
6,6-dimethylpyrido[2,3-b]azepine has a molecular weight of 172.23 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylpyrido[2,3-b]azepine is sourced from PubChem (CID 154549840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).