2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+)

C9H10NOY+2 — CID 20627837

IUPAC2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+)
SMILESNC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C9H10NO.Y/c10-9-6-5-7-3-1-2-4-8(7)11-9;/h2-4,9H,5-6,10H2;/q-1;+3
InChIKeyJCJALCUUNJYLFO-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.09
Rot. Bonds

About 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+)

2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+) (PubChem CID 20627837) has the molecular formula C9H10NOY+2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+).

Molecular Properties

Compound Name2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+)
PubChem CID20627837
Molecular FormulaC9H10NOY+2
Molecular Weight237.09 g/mol
Exact Mass236.98
IUPAC Name2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+)
SMILESNC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C9H10NO.Y/c10-9-6-5-7-3-1-2-4-8(7)11-9;/h2-4,9H,5-6,10H2;/q-1;+3
InChIKeyJCJALCUUNJYLFO-UHFFFAOYSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+)?
The IUPAC name of 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+) (CID 20627837) is 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+).
What is the SMILES notation for 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+)?
The canonical SMILES for 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+) is NC1CCc2c[c-]ccc2O1.[Y+3].
What is the InChIKey of 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+)?
The InChIKey is JCJALCUUNJYLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO.Y/c10-9-6-5-7-3-1-2-4-8(7)11-9;/h2-4,9H,5-6,10H2;/q-1;+3.
What are the key properties of 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+)?
2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+) has a molecular weight of 237.09 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium(3+) is sourced from PubChem (CID 20627837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).