1,8-dichloro-3,5-dihydro-2-benzazepin-4-one

C10H7Cl2NO — CID 59594365

IUPAC1,8-dichloro-3,5-dihydro-2-benzazepin-4-one
SMILESO=C1CN=C(Cl)c2cc(Cl)ccc2C1
InChIInChI=1S/C10H7Cl2NO/c11-7-2-1-6-3-8(14)5-13-10(12)9(6)4-7/h1-2,4H,3,5H2
InChIKeyUGLXRFXRBUPFPX-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.45
Rot. Bonds

About 1,8-dichloro-3,5-dihydro-2-benzazepin-4-one

1,8-dichloro-3,5-dihydro-2-benzazepin-4-one (PubChem CID 59594365) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 1,8-dichloro-3,5-dihydro-2-benzazepin-4-one.

Molecular Properties

Compound Name1,8-dichloro-3,5-dihydro-2-benzazepin-4-one
PubChem CID59594365
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name1,8-dichloro-3,5-dihydro-2-benzazepin-4-one
SMILESO=C1CN=C(Cl)c2cc(Cl)ccc2C1
InChIInChI=1S/C10H7Cl2NO/c11-7-2-1-6-3-8(14)5-13-10(12)9(6)4-7/h1-2,4H,3,5H2
InChIKeyUGLXRFXRBUPFPX-UHFFFAOYSA-N
XLogP2.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dichloro-3,5-dihydro-2-benzazepin-4-one?
The IUPAC name of 1,8-dichloro-3,5-dihydro-2-benzazepin-4-one (CID 59594365) is 1,8-dichloro-3,5-dihydro-2-benzazepin-4-one.
What is the SMILES notation for 1,8-dichloro-3,5-dihydro-2-benzazepin-4-one?
The canonical SMILES for 1,8-dichloro-3,5-dihydro-2-benzazepin-4-one is O=C1CN=C(Cl)c2cc(Cl)ccc2C1.
What is the InChIKey of 1,8-dichloro-3,5-dihydro-2-benzazepin-4-one?
The InChIKey is UGLXRFXRBUPFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-7-2-1-6-3-8(14)5-13-10(12)9(6)4-7/h1-2,4H,3,5H2.
What are the key properties of 1,8-dichloro-3,5-dihydro-2-benzazepin-4-one?
1,8-dichloro-3,5-dihydro-2-benzazepin-4-one has a molecular weight of 228.08 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 59594365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).