3,4-dihydro-2H-1-benzazepine

C10H11N — CID 57004019

IUPAC3,4-dihydro-2H-1-benzazepine
SMILESC1=c2ccccc2=NCCC1
InChIInChI=1S/C10H11N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5-7H,3-4,8H2
InChIKeyZWKAXEWPKUQHCJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.88
Rot. Bonds

About 3,4-dihydro-2H-1-benzazepine

3,4-dihydro-2H-1-benzazepine (PubChem CID 57004019) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3,4-dihydro-2H-1-benzazepine.

Molecular Properties

Compound Name3,4-dihydro-2H-1-benzazepine
PubChem CID57004019
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3,4-dihydro-2H-1-benzazepine
SMILESC1=c2ccccc2=NCCC1
InChIInChI=1S/C10H11N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5-7H,3-4,8H2
InChIKeyZWKAXEWPKUQHCJ-UHFFFAOYSA-N
XLogP0.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1-benzazepine?
The IUPAC name of 3,4-dihydro-2H-1-benzazepine (CID 57004019) is 3,4-dihydro-2H-1-benzazepine.
What is the SMILES notation for 3,4-dihydro-2H-1-benzazepine?
The canonical SMILES for 3,4-dihydro-2H-1-benzazepine is C1=c2ccccc2=NCCC1.
What is the InChIKey of 3,4-dihydro-2H-1-benzazepine?
The InChIKey is ZWKAXEWPKUQHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5-7H,3-4,8H2.
What are the key properties of 3,4-dihydro-2H-1-benzazepine?
3,4-dihydro-2H-1-benzazepine has a molecular weight of 145.20 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1-benzazepine is sourced from PubChem (CID 57004019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).