4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium

C10H10NOY- — CID 58541108

IUPAC4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium
SMILESC=CN1CCOc2c[c-]ccc21.[Y]
InChIInChI=1S/C10H10NO.Y/c1-2-11-7-8-12-10-6-4-3-5-9(10)11;/h2-3,5-6H,1,7-8H2;/q-1;
InChIKeyFJURZEQPSHPJNU-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.83
Rot. Bonds1

About 4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium

4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium (PubChem CID 58541108) has the molecular formula C10H10NOY- and a molecular weight of 249.10 g/mol. Its IUPAC name is 4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium.

Molecular Properties

Compound Name4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium
PubChem CID58541108
Molecular FormulaC10H10NOY-
Molecular Weight249.10 g/mol
Exact Mass248.98
IUPAC Name4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium
SMILESC=CN1CCOc2c[c-]ccc21.[Y]
InChIInChI=1S/C10H10NO.Y/c1-2-11-7-8-12-10-6-4-3-5-9(10)11;/h2-3,5-6H,1,7-8H2;/q-1;
InChIKeyFJURZEQPSHPJNU-UHFFFAOYSA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 22493491
2H-pyran;4H-quinolizine
CID 87901713
3-Methoxy-1-methyl-2-methylidenepyridine
CID 91203868
ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
CID 142241416
5,6-Bis(ethenyl)-4-methyl-2,3-dihydro-1,4-oxazine
CID 143157637
5,6-Bis(ethenyl)-4-ethyl-2,3-dihydro-1,4-oxazine
CID 144557216
(2E,3E)-3-ethylidene-4-methyl-2-prop-2-enylidenemorpholine
CID 146201971
2,3,4,7-Tetrahydro-1,4-benzoxazin-7-ide;yttrium
CID 156809952
(3E)-4-methyl-2-methylidene-3-prop-2-enylidenemorpholine
CID 166803956
(3E)-4-ethyl-2-methylidene-3-prop-2-enylidenemorpholine
CID 166804009
6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-oxazine
CID 169910012
1-ethoxy-4H-quinolizine
CID 172855481

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium?
The IUPAC name of 4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium (CID 58541108) is 4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium.
What is the SMILES notation for 4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium?
The canonical SMILES for 4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium is C=CN1CCOc2c[c-]ccc21.[Y].
What is the InChIKey of 4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium?
The InChIKey is FJURZEQPSHPJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO.Y/c1-2-11-7-8-12-10-6-4-3-5-9(10)11;/h2-3,5-6H,1,7-8H2;/q-1;.
What are the key properties of 4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium?
4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium has a molecular weight of 249.10 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium is sourced from PubChem (CID 58541108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).