2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium

C10H13NOY — CID 59060836

IUPAC2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium
SMILESNCC1CCc2c[c-]ccc2[OH+]1.[Y]
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;/p+1
InChIKeyJVLQAFRJDQQTRO-UHFFFAOYSA-O
MW252.13 g/mol
LogP1.00
Rot. Bonds1

About 2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium

2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium (PubChem CID 59060836) has the molecular formula C10H13NOY and a molecular weight of 252.13 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium.

Molecular Properties

Compound Name2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium
PubChem CID59060836
Molecular FormulaC10H13NOY
Molecular Weight252.13 g/mol
Exact Mass252.01
IUPAC Name2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium
SMILESNCC1CCc2c[c-]ccc2[OH+]1.[Y]
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;/p+1
InChIKeyJVLQAFRJDQQTRO-UHFFFAOYSA-O
XLogP1.00
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium?
The IUPAC name of 2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium (CID 59060836) is 2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium.
What is the SMILES notation for 2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium?
The canonical SMILES for 2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium is NCC1CCc2c[c-]ccc2[OH+]1.[Y].
What is the InChIKey of 2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium?
The InChIKey is JVLQAFRJDQQTRO-UHFFFAOYSA-O. 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;/p+1.
What are the key properties of 2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium?
2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium has a molecular weight of 252.13 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium is sourced from PubChem (CID 59060836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).