2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium

C8H8NOY- — CID 156809952

IUPAC2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium
SMILES[Y].[c-]1ccc2c(c1)OCCN2
InChIInChI=1S/C8H8NO.Y/c1-2-4-8-7(3-1)9-5-6-10-8;/h1,3-4,9H,5-6H2;/q-1;
InChIKeyUHDUPCVTWNCMRS-UHFFFAOYSA-N
MW223.06 g/mol
LogP1.29
Rot. Bonds

About 2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium

2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium (PubChem CID 156809952) has the molecular formula C8H8NOY- and a molecular weight of 223.06 g/mol. Its IUPAC name is 2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium.

Molecular Properties

Compound Name2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium
PubChem CID156809952
Molecular FormulaC8H8NOY-
Molecular Weight223.06 g/mol
Exact Mass222.97
IUPAC Name2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium
SMILES[Y].[c-]1ccc2c(c1)OCCN2
InChIInChI=1S/C8H8NO.Y/c1-2-4-8-7(3-1)9-5-6-10-8;/h1,3-4,9H,5-6H2;/q-1;
InChIKeyUHDUPCVTWNCMRS-UHFFFAOYSA-N
XLogP1.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5H-pyrano[3,2-b]pyridine
CID 19971617
3,4,5,6-tetrahydro-2H-1,4-benzoxazine
CID 55300852
4-ethenyl-3,7-dihydro-2H-1,4-benzoxazin-7-ide;yttrium
CID 58541108
5H-pyrano[3,2-b]pyridin-4-amine
CID 87863813
5-methyl-6-(2-methylprop-1-enyl)-3,4-dihydro-2H-1,4-oxazine
CID 117949988
(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
CID 130336935
6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
CID 132040108
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine
CID 139544144
(5Z,7Z,9Z,11Z,13Z)-3,4-dihydro-2H-cyclododeca[b][1,4]oxazine
CID 141518119
[5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazin-2-yl]methanamine
CID 141967154
5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine
CID 141973406
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine
CID 142054832

Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium?
The IUPAC name of 2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium (CID 156809952) is 2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium.
What is the SMILES notation for 2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium?
The canonical SMILES for 2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium is [Y].[c-]1ccc2c(c1)OCCN2.
What is the InChIKey of 2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium?
The InChIKey is UHDUPCVTWNCMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO.Y/c1-2-4-8-7(3-1)9-5-6-10-8;/h1,3-4,9H,5-6H2;/q-1;.
What are the key properties of 2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium?
2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium has a molecular weight of 223.06 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetrahydro-1,4-benzoxazin-7-ide;yttrium is sourced from PubChem (CID 156809952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).