8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one

C13H14N2O3 — CID 71520773

IUPAC8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
SMILESCOc1cccc2c1OCC(=O)N1N=C(C)CC21
InChIInChI=1S/C13H14N2O3/c1-8-6-10-9-4-3-5-11(17-2)13(9)18-7-12(16)15(10)14-8/h3-5,10H,6-7H2,1-2H3
InChIKeyBOSKSAXLPWCOTQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.74
Rot. Bonds1

About 8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one

8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one (PubChem CID 71520773) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one.

Molecular Properties

Compound Name8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
PubChem CID71520773
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
SMILESCOc1cccc2c1OCC(=O)N1N=C(C)CC21
InChIInChI=1S/C13H14N2O3/c1-8-6-10-9-4-3-5-11(17-2)13(9)18-7-12(16)15(10)14-8/h3-5,10H,6-7H2,1-2H3
InChIKeyBOSKSAXLPWCOTQ-UHFFFAOYSA-N
XLogP1.74
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one?
The IUPAC name of 8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one (CID 71520773) is 8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one.
What is the SMILES notation for 8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one?
The canonical SMILES for 8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one is COc1cccc2c1OCC(=O)N1N=C(C)CC21.
What is the InChIKey of 8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one?
The InChIKey is BOSKSAXLPWCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-6-10-9-4-3-5-11(17-2)13(9)18-7-12(16)15(10)14-8/h3-5,10H,6-7H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one?
8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one has a molecular weight of 246.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one is sourced from PubChem (CID 71520773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).