1,7-dimethoxy-5H-2-benzazepine

C12H13NO2 — CID 143080185

IUPAC1,7-dimethoxy-5H-2-benzazepine
SMILESCOC1=NC=CCc2cc(OC)ccc21
InChIInChI=1S/C12H13NO2/c1-14-10-5-6-11-9(8-10)4-3-7-13-12(11)15-2/h3,5-8H,4H2,1-2H3
InChIKeyBZHJVQMPTBYTBZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.16
Rot. Bonds1

About 1,7-dimethoxy-5H-2-benzazepine

1,7-dimethoxy-5H-2-benzazepine (PubChem CID 143080185) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1,7-dimethoxy-5H-2-benzazepine.

Molecular Properties

Compound Name1,7-dimethoxy-5H-2-benzazepine
PubChem CID143080185
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1,7-dimethoxy-5H-2-benzazepine
SMILESCOC1=NC=CCc2cc(OC)ccc21
InChIInChI=1S/C12H13NO2/c1-14-10-5-6-11-9(8-10)4-3-7-13-12(11)15-2/h3,5-8H,4H2,1-2H3
InChIKeyBZHJVQMPTBYTBZ-UHFFFAOYSA-N
XLogP2.16
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethoxy-5H-2-benzazepine?
The IUPAC name of 1,7-dimethoxy-5H-2-benzazepine (CID 143080185) is 1,7-dimethoxy-5H-2-benzazepine.
What is the SMILES notation for 1,7-dimethoxy-5H-2-benzazepine?
The canonical SMILES for 1,7-dimethoxy-5H-2-benzazepine is COC1=NC=CCc2cc(OC)ccc21.
What is the InChIKey of 1,7-dimethoxy-5H-2-benzazepine?
The InChIKey is BZHJVQMPTBYTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-14-10-5-6-11-9(8-10)4-3-7-13-12(11)15-2/h3,5-8H,4H2,1-2H3.
What are the key properties of 1,7-dimethoxy-5H-2-benzazepine?
1,7-dimethoxy-5H-2-benzazepine has a molecular weight of 203.24 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethoxy-5H-2-benzazepine is sourced from PubChem (CID 143080185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).