[1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride

C11H8ClNO3 — CID 172754515

IUPAC[1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride
SMILESCl.O=c1cc2c3c(ccc2ccn1)OCO3
InChIInChI=1S/C11H7NO3.ClH/c13-10-5-8-7(3-4-12-10)1-2-9-11(8)15-6-14-9;/h1-5H,6H2;1H
InChIKeyKVGVGCSEZLUOBU-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.75
Rot. Bonds

About [1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride

[1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride (PubChem CID 172754515) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride
PubChem CID172754515
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name[1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride
SMILESCl.O=c1cc2c3c(ccc2ccn1)OCO3
InChIInChI=1S/C11H7NO3.ClH/c13-10-5-8-7(3-4-12-10)1-2-9-11(8)15-6-14-9;/h1-5H,6H2;1H
InChIKeyKVGVGCSEZLUOBU-UHFFFAOYSA-N
XLogP1.75
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride?
The IUPAC name of [1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride (CID 172754515) is [1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride.
What is the SMILES notation for [1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride?
The canonical SMILES for [1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride is Cl.O=c1cc2c3c(ccc2ccn1)OCO3.
What is the InChIKey of [1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride?
The InChIKey is KVGVGCSEZLUOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3.ClH/c13-10-5-8-7(3-4-12-10)1-2-9-11(8)15-6-14-9;/h1-5H,6H2;1H.
What are the key properties of [1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride?
[1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride has a molecular weight of 237.64 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride is sourced from PubChem (CID 172754515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).