5,5a-dihydro-4H-2-benzazepine

C10H11N — CID 18435514

IUPAC5,5a-dihydro-4H-2-benzazepine
SMILESC1=CC2=CN=CCCC2C=C1
InChIInChI=1S/C10H11N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-5,7-9H,3,6H2
InChIKeyQLEWSMVQEKSKCK-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.48
Rot. Bonds

About 5,5a-dihydro-4H-2-benzazepine

5,5a-dihydro-4H-2-benzazepine (PubChem CID 18435514) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 5,5a-dihydro-4H-2-benzazepine.

Molecular Properties

Compound Name5,5a-dihydro-4H-2-benzazepine
PubChem CID18435514
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name5,5a-dihydro-4H-2-benzazepine
SMILESC1=CC2=CN=CCCC2C=C1
InChIInChI=1S/C10H11N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-5,7-9H,3,6H2
InChIKeyQLEWSMVQEKSKCK-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-propyl-3H-azepine
CID 53671035
4,5,5a,9a-tetrahydro-3H-2-benzazepine
CID 53961654
2,5,5a,9a-tetrahydro-1H-3-benzazepine
CID 54189236
4H-2-benzazepine
CID 54406986
4,5,5a,9a-tetrahydro-1H-2-benzazepine
CID 54443574
2,5,9,9a-tetrahydro-1H-3-benzazepine
CID 54493788
3-Azabicyclo[6.2.2]dodeca-2,7,9-triene
CID 57068287
3-Azabicyclo[4.2.0]octa-1,3,7-triene
CID 57130799
4H-cyclohepta[c]pyridine
CID 57168320
4,8-Dihydroisoquinoline
CID 57298362
4,6,7,8,9,9a-hexahydro-3H-2-benzazepine
CID 67535755
8,8a-Dihydroisoquinoline
CID 68024586

Frequently Asked Questions

What is the IUPAC name of 5,5a-dihydro-4H-2-benzazepine?
The IUPAC name of 5,5a-dihydro-4H-2-benzazepine (CID 18435514) is 5,5a-dihydro-4H-2-benzazepine.
What is the SMILES notation for 5,5a-dihydro-4H-2-benzazepine?
The canonical SMILES for 5,5a-dihydro-4H-2-benzazepine is C1=CC2=CN=CCCC2C=C1.
What is the InChIKey of 5,5a-dihydro-4H-2-benzazepine?
The InChIKey is QLEWSMVQEKSKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-5,7-9H,3,6H2.
What are the key properties of 5,5a-dihydro-4H-2-benzazepine?
5,5a-dihydro-4H-2-benzazepine has a molecular weight of 145.20 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5a-dihydro-4H-2-benzazepine is sourced from PubChem (CID 18435514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).