2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium

C9H10NOY- — CID 59060849

IUPAC2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium
SMILESNC1CCc2c[c-]ccc2O1.[Y]
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;
InChIKeyDWFJPUVDMLNSEY-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.09
Rot. Bonds

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

2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium (PubChem CID 59060849) has the molecular formula C9H10NOY- and a molecular weight of 237.09 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium.

Molecular Properties

Compound Name2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium
PubChem CID59060849
Molecular FormulaC9H10NOY-
Molecular Weight237.09 g/mol
Exact Mass236.98
IUPAC Name2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium
SMILESNC1CCc2c[c-]ccc2O1.[Y]
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;
InChIKeyDWFJPUVDMLNSEY-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?
The IUPAC name of 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium (CID 59060849) is 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium.
What is the SMILES notation for 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium?
The canonical SMILES for 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium is NC1CCc2c[c-]ccc2O1.[Y].
What is the InChIKey of 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium?
The InChIKey is DWFJPUVDMLNSEY-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;.
What are the key properties of 2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium?
2,3,4,6-tetrahydrochromen-6-id-2-amine;yttrium 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 is sourced from PubChem (CID 59060849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).