7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one

C10H10INO2 — CID 79788265

IUPAC7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(I)ccc2N(C)C1=O
InChIInChI=1S/C10H10INO2/c1-6-10(13)12(2)8-4-3-7(11)5-9(8)14-6/h3-6H,1-2H3
InChIKeyZTOJSJNMIIBXGR-UHFFFAOYSA-N
MW303.10 g/mol
LogP2.03
Rot. Bonds

About 7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one

7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 79788265) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is 7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID79788265
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Name7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(I)ccc2N(C)C1=O
InChIInChI=1S/C10H10INO2/c1-6-10(13)12(2)8-4-3-7(11)5-9(8)14-6/h3-6H,1-2H3
InChIKeyZTOJSJNMIIBXGR-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one (CID 79788265) is 7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one is CC1Oc2cc(I)ccc2N(C)C1=O.
What is the InChIKey of 7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is ZTOJSJNMIIBXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2/c1-6-10(13)12(2)8-4-3-7(11)5-9(8)14-6/h3-6H,1-2H3.
What are the key properties of 7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one?
7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 303.10 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 79788265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).