6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one

C12H15N3O3 — CID 116876298

IUPAC6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C3(NN)COC3)cc21
InChIInChI=1S/C12H15N3O3/c1-15-9-4-8(12(14-13)6-17-7-12)2-3-10(9)18-5-11(15)16/h2-4,14H,5-7,13H2,1H3
InChIKeyCVNXELUMKFFBKF-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.27
Rot. Bonds2

About 6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one

6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 116876298) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
PubChem CID116876298
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C3(NN)COC3)cc21
InChIInChI=1S/C12H15N3O3/c1-15-9-4-8(12(14-13)6-17-7-12)2-3-10(9)18-5-11(15)16/h2-4,14H,5-7,13H2,1H3
InChIKeyCVNXELUMKFFBKF-UHFFFAOYSA-N
XLogP-0.27
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
CID 116872667
4-methyl-6-(3-sulfanyloxetan-3-yl)-1,4-benzoxazin-3-one
CID 116872893
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82484685
2,2,3,3-tetramethyl-1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 146081080
6-(2-hydroxypropan-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 117315574
6-[2-(aminomethylamino)ethyl]-4-methyl-1,4-benzoxazin-3-one
CID 115226078
methyl 2-amino-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetate
CID 116856936
6-(1,2-diaminoethyl)-4-methyl-1,4-benzoxazin-3-one
CID 116855498
6-(2-amino-1-hydroxy-2-methylpropyl)-4-methyl-1,4-benzoxazin-3-one
CID 116836099

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one (CID 116876298) is 6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(C3(NN)COC3)cc21.
What is the InChIKey of 6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is CVNXELUMKFFBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15-9-4-8(12(14-13)6-17-7-12)2-3-10(9)18-5-11(15)16/h2-4,14H,5-7,13H2,1H3.
What are the key properties of 6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one?
6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 249.27 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 116876298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).