7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one

C9H12N2O2 — CID 143902117

IUPAC7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one
SMILESCNC1=CC2=C(CC1)NC(=O)CO2
InChIInChI=1S/C9H12N2O2/c1-10-6-2-3-7-8(4-6)13-5-9(12)11-7/h4,10H,2-3,5H2,1H3,(H,11,12)
InChIKeyIEAFVKATSOBGTJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.24
Rot. Bonds1

About 7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one

7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one (PubChem CID 143902117) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one
PubChem CID143902117
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one
SMILESCNC1=CC2=C(CC1)NC(=O)CO2
InChIInChI=1S/C9H12N2O2/c1-10-6-2-3-7-8(4-6)13-5-9(12)11-7/h4,10H,2-3,5H2,1H3,(H,11,12)
InChIKeyIEAFVKATSOBGTJ-UHFFFAOYSA-N
XLogP0.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one (CID 143902117) is 7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one is CNC1=CC2=C(CC1)NC(=O)CO2.
What is the InChIKey of 7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one?
The InChIKey is IEAFVKATSOBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-10-6-2-3-7-8(4-6)13-5-9(12)11-7/h4,10H,2-3,5H2,1H3,(H,11,12).
What are the key properties of 7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one?
7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one has a molecular weight of 180.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-5,6-dihydro-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 143902117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).