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

C10H12NOY+2 — CID 20627839

IUPAC2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+)
SMILESNCC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C10H12NO.Y/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h2-4,9H,5-7,11H2;/q-1;+3
InChIKeyZUECVEROYHGQLW-UHFFFAOYSA-N
MW251.12 g/mol
LogP1.14
Rot. Bonds1

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

2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+) (PubChem CID 20627839) has the molecular formula C10H12NOY+2 and a molecular weight of 251.12 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+).

Molecular Properties

Compound Name2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+)
PubChem CID20627839
Molecular FormulaC10H12NOY+2
Molecular Weight251.12 g/mol
Exact Mass251.00
IUPAC Name2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+)
SMILESNCC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C10H12NO.Y/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h2-4,9H,5-7,11H2;/q-1;+3
InChIKeyZUECVEROYHGQLW-UHFFFAOYSA-N
XLogP1.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 51.14
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-ylmethanamine;yttrium(3+)?
The IUPAC name of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+) (CID 20627839) is 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+).
What is the SMILES notation for 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+)?
The canonical SMILES for 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+) is NCC1CCc2c[c-]ccc2O1.[Y+3].
What is the InChIKey of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+)?
The InChIKey is ZUECVEROYHGQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO.Y/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h2-4,9H,5-7,11H2;/q-1;+3.
What are the key properties of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+)?
2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+) has a molecular weight of 251.12 g/mol, XLogP of 1.14, 1 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-ylmethanamine;yttrium(3+) is sourced from PubChem (CID 20627839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).