2-amino-1,9-dimethylphenoxazin-3-one

C14H12N2O2 — CID 71718015

IUPAC2-amino-1,9-dimethylphenoxazin-3-one
SMILESCc1c2nc3c(C)cccc3oc-2cc(=O)c1N
InChIInChI=1S/C14H12N2O2/c1-7-4-3-5-10-13(7)16-14-8(2)12(15)9(17)6-11(14)18-10/h3-6H,15H2,1-2H3
InChIKeyAIRUGCLIRUOMHL-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.49
Rot. Bonds

About 2-amino-1,9-dimethylphenoxazin-3-one

2-amino-1,9-dimethylphenoxazin-3-one (PubChem CID 71718015) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-1,9-dimethylphenoxazin-3-one.

Molecular Properties

Compound Name2-amino-1,9-dimethylphenoxazin-3-one
PubChem CID71718015
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-amino-1,9-dimethylphenoxazin-3-one
SMILESCc1c2nc3c(C)cccc3oc-2cc(=O)c1N
InChIInChI=1S/C14H12N2O2/c1-7-4-3-5-10-13(7)16-14-8(2)12(15)9(17)6-11(14)18-10/h3-6H,15H2,1-2H3
InChIKeyAIRUGCLIRUOMHL-UHFFFAOYSA-N
XLogP2.49
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,9-dimethylphenoxazin-3-one?
The IUPAC name of 2-amino-1,9-dimethylphenoxazin-3-one (CID 71718015) is 2-amino-1,9-dimethylphenoxazin-3-one.
What is the SMILES notation for 2-amino-1,9-dimethylphenoxazin-3-one?
The canonical SMILES for 2-amino-1,9-dimethylphenoxazin-3-one is Cc1c2nc3c(C)cccc3oc-2cc(=O)c1N.
What is the InChIKey of 2-amino-1,9-dimethylphenoxazin-3-one?
The InChIKey is AIRUGCLIRUOMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-7-4-3-5-10-13(7)16-14-8(2)12(15)9(17)6-11(14)18-10/h3-6H,15H2,1-2H3.
What are the key properties of 2-amino-1,9-dimethylphenoxazin-3-one?
2-amino-1,9-dimethylphenoxazin-3-one has a molecular weight of 240.26 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,9-dimethylphenoxazin-3-one is sourced from PubChem (CID 71718015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).