2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine

C11H16N2O — CID 24958168

IUPAC2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
SMILESCOc1ccc2c(n1)C(C)CNCC2
InChIInChI=1S/C11H16N2O/c1-8-7-12-6-5-9-3-4-10(14-2)13-11(8)9/h3-4,8,12H,5-7H2,1-2H3
InChIKeyXJVGWBUINMIGBR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.34
Rot. Bonds1

About 2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine

2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine (PubChem CID 24958168) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
PubChem CID24958168
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
SMILESCOc1ccc2c(n1)C(C)CNCC2
InChIInChI=1S/C11H16N2O/c1-8-7-12-6-5-9-3-4-10(14-2)13-11(8)9/h3-4,8,12H,5-7H2,1-2H3
InChIKeyXJVGWBUINMIGBR-UHFFFAOYSA-N
XLogP1.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
The IUPAC name of 2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine (CID 24958168) is 2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine.
What is the SMILES notation for 2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
The canonical SMILES for 2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine is COc1ccc2c(n1)C(C)CNCC2.
What is the InChIKey of 2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
The InChIKey is XJVGWBUINMIGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-7-12-6-5-9-3-4-10(14-2)13-11(8)9/h3-4,8,12H,5-7H2,1-2H3.
What are the key properties of 2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine has a molecular weight of 192.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine is sourced from PubChem (CID 24958168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).