1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)

C14H20NO2Y+2 — CID 20627832

IUPAC1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)
SMILESCCC(O)CNCC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C14H20NO2.Y/c1-2-12(16)9-15-10-13-8-7-11-5-3-4-6-14(11)17-13;/h4-6,12-13,15-16H,2,7-10H2,1H3;/q-1;+3
InChIKeyNPTZXBQZUYTZFR-UHFFFAOYSA-N
MW323.23 g/mol
LogP1.54
Rot. Bonds5

About 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)

1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+) (PubChem CID 20627832) has the molecular formula C14H20NO2Y+2 and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+).

Molecular Properties

Compound Name1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)
PubChem CID20627832
Molecular FormulaC14H20NO2Y+2
Molecular Weight323.23 g/mol
Exact Mass323.05
IUPAC Name1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)
SMILESCCC(O)CNCC1CCc2c[c-]ccc2O1.[Y+3]
InChIInChI=1S/C14H20NO2.Y/c1-2-12(16)9-15-10-13-8-7-11-5-3-4-6-14(11)17-13;/h4-6,12-13,15-16H,2,7-10H2,1H3;/q-1;+3
InChIKeyNPTZXBQZUYTZFR-UHFFFAOYSA-N
XLogP1.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)?
The IUPAC name of 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+) (CID 20627832) is 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+).
What is the SMILES notation for 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)?
The canonical SMILES for 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+) is CCC(O)CNCC1CCc2c[c-]ccc2O1.[Y+3].
What is the InChIKey of 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)?
The InChIKey is NPTZXBQZUYTZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO2.Y/c1-2-12(16)9-15-10-13-8-7-11-5-3-4-6-14(11)17-13;/h4-6,12-13,15-16H,2,7-10H2,1H3;/q-1;+3.
What are the key properties of 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)?
1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+) has a molecular weight of 323.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+) is sourced from PubChem (CID 20627832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).