2-(methylamino)-3,1-benzoxazin-4-one

C9H8N2O2 — CID 10241309

IUPAC2-(methylamino)-3,1-benzoxazin-4-one
SMILESCNc1nc2ccccc2c(=O)o1
InChIInChI=1S/C9H8N2O2/c1-10-9-11-7-5-3-2-4-6(7)8(12)13-9/h2-5H,1H3,(H,10,11)
InChIKeyDHZSTPSBUNTJIL-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.23
Rot. Bonds1

About 2-(methylamino)-3,1-benzoxazin-4-one

2-(methylamino)-3,1-benzoxazin-4-one (PubChem CID 10241309) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(methylamino)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(methylamino)-3,1-benzoxazin-4-one
PubChem CID10241309
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-(methylamino)-3,1-benzoxazin-4-one
SMILESCNc1nc2ccccc2c(=O)o1
InChIInChI=1S/C9H8N2O2/c1-10-9-11-7-5-3-2-4-6(7)8(12)13-9/h2-5H,1H3,(H,10,11)
InChIKeyDHZSTPSBUNTJIL-UHFFFAOYSA-N
XLogP1.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(methylamino)-3,1-benzoxazin-4-one (CID 10241309) is 2-(methylamino)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(methylamino)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(methylamino)-3,1-benzoxazin-4-one is CNc1nc2ccccc2c(=O)o1.
What is the InChIKey of 2-(methylamino)-3,1-benzoxazin-4-one?
The InChIKey is DHZSTPSBUNTJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-10-9-11-7-5-3-2-4-6(7)8(12)13-9/h2-5H,1H3,(H,10,11).
What are the key properties of 2-(methylamino)-3,1-benzoxazin-4-one?
2-(methylamino)-3,1-benzoxazin-4-one has a molecular weight of 176.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3,1-benzoxazin-4-one is sourced from PubChem (CID 10241309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).