3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium

C9H10NOY- — CID 59106161

IUPAC3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium
SMILESNCC1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C9H10NO.Y/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h2-4,8H,5-6,10H2;/q-1;
InChIKeyDOLDYPGGZBHXAN-UHFFFAOYSA-N
MW237.09 g/mol
LogP0.75
Rot. Bonds1

About 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium

3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium (PubChem CID 59106161) has the molecular formula C9H10NOY- and a molecular weight of 237.09 g/mol. Its IUPAC name is 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium.

Molecular Properties

Compound Name3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium
PubChem CID59106161
Molecular FormulaC9H10NOY-
Molecular Weight237.09 g/mol
Exact Mass236.98
IUPAC Name3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium
SMILESNCC1Cc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C9H10NO.Y/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h2-4,8H,5-6,10H2;/q-1;
InChIKeyDOLDYPGGZBHXAN-UHFFFAOYSA-N
XLogP0.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 50.75
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

(5-Fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine
CID 156591896
1-(3,3-difluoro-2H-cyclopenta[b]pyran-2-yl)ethanamine
CID 177793365
2-(2,3,4,5-Tetrahydro-1-benzofuran-2-yl)ethanamine
CID 57288704
(7-Methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium
CID 58999611
1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium
CID 59106162
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanamine;yttrium
CID 59118243
3-(1,3-Dihydrocyclopenta[c]pyran-4-yl)propan-1-amine
CID 67558971
1,3,4,6-Tetrahydrocyclopenta[c]pyran-1-ylmethanamine
CID 89532757
2,3,4,5-Tetrahydro-1-benzofuran-3-amine
CID 129116475
[(4Z)-4-ethylidene-5-methylideneoxolan-2-yl]methanamine
CID 130191118
N-methyl-1-[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methanamine
CID 132196016
[4,5-Bis(ethenyl)-2,3-dihydrofuran-2-yl]methanamine
CID 144636646

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium?
The IUPAC name of 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium (CID 59106161) is 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium.
What is the SMILES notation for 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium?
The canonical SMILES for 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium is NCC1Cc2c[c-]ccc2O1.[Y].
What is the InChIKey of 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium?
The InChIKey is DOLDYPGGZBHXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO.Y/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h2-4,8H,5-6,10H2;/q-1;.
What are the key properties of 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium?
3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium has a molecular weight of 237.09 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium is sourced from PubChem (CID 59106161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).