1-chlorobenzo[d][1]benzazepin-6-one

C14H8ClNO — CID 126674207

IUPAC1-chlorobenzo[d][1]benzazepin-6-one
SMILESO=c1cc2ccccc2c2c(Cl)cccc2n1
InChIInChI=1S/C14H8ClNO/c15-11-6-3-7-12-14(11)10-5-2-1-4-9(10)8-13(17)16-12/h1-8H
InChIKeyNGOPIPDLMKXNBC-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.40
Rot. Bonds

About 1-chlorobenzo[d][1]benzazepin-6-one

1-chlorobenzo[d][1]benzazepin-6-one (PubChem CID 126674207) has the molecular formula C14H8ClNO and a molecular weight of 241.68 g/mol. Its IUPAC name is 1-chlorobenzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name1-chlorobenzo[d][1]benzazepin-6-one
PubChem CID126674207
Molecular FormulaC14H8ClNO
Molecular Weight241.68 g/mol
Exact Mass241.03
IUPAC Name1-chlorobenzo[d][1]benzazepin-6-one
SMILESO=c1cc2ccccc2c2c(Cl)cccc2n1
InChIInChI=1S/C14H8ClNO/c15-11-6-3-7-12-14(11)10-5-2-1-4-9(10)8-13(17)16-12/h1-8H
InChIKeyNGOPIPDLMKXNBC-UHFFFAOYSA-N
XLogP3.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chlorobenzo[d][1]benzazepin-6-one?
The IUPAC name of 1-chlorobenzo[d][1]benzazepin-6-one (CID 126674207) is 1-chlorobenzo[d][1]benzazepin-6-one.
What is the SMILES notation for 1-chlorobenzo[d][1]benzazepin-6-one?
The canonical SMILES for 1-chlorobenzo[d][1]benzazepin-6-one is O=c1cc2ccccc2c2c(Cl)cccc2n1.
What is the InChIKey of 1-chlorobenzo[d][1]benzazepin-6-one?
The InChIKey is NGOPIPDLMKXNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO/c15-11-6-3-7-12-14(11)10-5-2-1-4-9(10)8-13(17)16-12/h1-8H.
What are the key properties of 1-chlorobenzo[d][1]benzazepin-6-one?
1-chlorobenzo[d][1]benzazepin-6-one has a molecular weight of 241.68 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorobenzo[d][1]benzazepin-6-one is sourced from PubChem (CID 126674207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).