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

C10H12NOY- — CID 59118243

IUPAC2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium
SMILESNCC1CCc2c[c-]ccc2O1.[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;
InChIKeyJVLQAFRJDQQTRO-UHFFFAOYSA-N
MW251.12 g/mol
LogP1.14
Rot. Bonds1

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

2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium (PubChem CID 59118243) has the molecular formula C10H12NOY- and a molecular weight of 251.12 g/mol. Its IUPAC name is 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium.

Molecular Properties

Compound Name2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium
PubChem CID59118243
Molecular FormulaC10H12NOY-
Molecular Weight251.12 g/mol
Exact Mass251.00
IUPAC Name2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium
SMILESNCC1CCc2c[c-]ccc2O1.[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;
InChIKeyJVLQAFRJDQQTRO-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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Related Compounds

2-(Azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium
CID 58999609
(7-Methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium
CID 58999611
N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium
CID 58999634
2,3,4,6-Tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium
CID 59060836
2,3,4,6-Tetrahydrochromen-6-id-2-amine;yttrium
CID 59060849
3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium
CID 59106161
(3-Amino-2,3,4,6-tetrahydrochromen-5-ylidene)methanone
CID 88376081
Rhenium;2,3,4,8-tetrahydrochromen-8-id-3-amine
CID 172301230
2,3,4,6-Tetrahydrochromen-6-id-2-amine;yttrium(3+)
CID 20627837
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+)
CID 20627839

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium?
The IUPAC name of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium (CID 59118243) is 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium.
What is the SMILES notation for 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium?
The canonical SMILES for 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium is NCC1CCc2c[c-]ccc2O1.[Y].
What is the InChIKey of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium?
The InChIKey is JVLQAFRJDQQTRO-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;.
What are the key properties of 2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium?
2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;yttrium 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 is sourced from PubChem (CID 59118243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).