3-(methylamino)-2H-1-benzoxepin-5-one

C11H11NO2 — CID 13446047

IUPAC3-(methylamino)-2H-1-benzoxepin-5-one
SMILESCNC1=CC(=O)c2ccccc2OC1
InChIInChI=1S/C11H11NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-6,12H,7H2,1H3
InChIKeyFQJYQXONIGBDNO-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.37
Rot. Bonds1

About 3-(methylamino)-2H-1-benzoxepin-5-one

3-(methylamino)-2H-1-benzoxepin-5-one (PubChem CID 13446047) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(methylamino)-2H-1-benzoxepin-5-one.

Molecular Properties

Compound Name3-(methylamino)-2H-1-benzoxepin-5-one
PubChem CID13446047
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(methylamino)-2H-1-benzoxepin-5-one
SMILESCNC1=CC(=O)c2ccccc2OC1
InChIInChI=1S/C11H11NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-6,12H,7H2,1H3
InChIKeyFQJYQXONIGBDNO-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2H-1-benzoxepin-5-one?
The IUPAC name of 3-(methylamino)-2H-1-benzoxepin-5-one (CID 13446047) is 3-(methylamino)-2H-1-benzoxepin-5-one.
What is the SMILES notation for 3-(methylamino)-2H-1-benzoxepin-5-one?
The canonical SMILES for 3-(methylamino)-2H-1-benzoxepin-5-one is CNC1=CC(=O)c2ccccc2OC1.
What is the InChIKey of 3-(methylamino)-2H-1-benzoxepin-5-one?
The InChIKey is FQJYQXONIGBDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-6,12H,7H2,1H3.
What are the key properties of 3-(methylamino)-2H-1-benzoxepin-5-one?
3-(methylamino)-2H-1-benzoxepin-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2H-1-benzoxepin-5-one is sourced from PubChem (CID 13446047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).