9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one

C13H14N2O3 — CID 21459900

IUPAC9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one
SMILESCOc1ccc2c(c1)c1c(n2C)C(=O)NCCO1
InChIInChI=1S/C13H14N2O3/c1-15-10-4-3-8(17-2)7-9(10)12-11(15)13(16)14-5-6-18-12/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyRYPYMRJSDUMYPC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.31
Rot. Bonds1

About 9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one

9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one (PubChem CID 21459900) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one.

Molecular Properties

Compound Name9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one
PubChem CID21459900
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one
SMILESCOc1ccc2c(c1)c1c(n2C)C(=O)NCCO1
InChIInChI=1S/C13H14N2O3/c1-15-10-4-3-8(17-2)7-9(10)12-11(15)13(16)14-5-6-18-12/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyRYPYMRJSDUMYPC-UHFFFAOYSA-N
XLogP1.31
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one?
The IUPAC name of 9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one (CID 21459900) is 9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one.
What is the SMILES notation for 9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one?
The canonical SMILES for 9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one is COc1ccc2c(c1)c1c(n2C)C(=O)NCCO1.
What is the InChIKey of 9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one?
The InChIKey is RYPYMRJSDUMYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15-10-4-3-8(17-2)7-9(10)12-11(15)13(16)14-5-6-18-12/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one?
9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one has a molecular weight of 246.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one is sourced from PubChem (CID 21459900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).