3-methoxy-1H-2-benzazepine

C11H11NO — CID 71443618

IUPAC3-methoxy-1H-2-benzazepine
SMILESCOC1=NCc2ccccc2C=C1
InChIInChI=1S/C11H11NO/c1-13-11-7-6-9-4-2-3-5-10(9)8-12-11/h2-7H,8H2,1H3
InChIKeyBXSVBPSQEWFYPG-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.26
Rot. Bonds

About 3-methoxy-1H-2-benzazepine

3-methoxy-1H-2-benzazepine (PubChem CID 71443618) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-methoxy-1H-2-benzazepine.

Molecular Properties

Compound Name3-methoxy-1H-2-benzazepine
PubChem CID71443618
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-methoxy-1H-2-benzazepine
SMILESCOC1=NCc2ccccc2C=C1
InChIInChI=1S/C11H11NO/c1-13-11-7-6-9-4-2-3-5-10(9)8-12-11/h2-7H,8H2,1H3
InChIKeyBXSVBPSQEWFYPG-UHFFFAOYSA-N
XLogP2.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1H-2-benzazepine?
The IUPAC name of 3-methoxy-1H-2-benzazepine (CID 71443618) is 3-methoxy-1H-2-benzazepine.
What is the SMILES notation for 3-methoxy-1H-2-benzazepine?
The canonical SMILES for 3-methoxy-1H-2-benzazepine is COC1=NCc2ccccc2C=C1.
What is the InChIKey of 3-methoxy-1H-2-benzazepine?
The InChIKey is BXSVBPSQEWFYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-13-11-7-6-9-4-2-3-5-10(9)8-12-11/h2-7H,8H2,1H3.
What are the key properties of 3-methoxy-1H-2-benzazepine?
3-methoxy-1H-2-benzazepine has a molecular weight of 173.21 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1H-2-benzazepine is sourced from PubChem (CID 71443618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).