2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium

C11H12N3OY- — CID 58999609

IUPAC2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium
SMILESCc1[c-]c2c(cc1)CCC(CN=[N+]=[N-])O2.[Y]
InChIInChI=1S/C11H12N3O.Y/c1-8-2-3-9-4-5-10(7-13-14-12)15-11(9)6-8;/h2-3,10H,4-5,7H2,1H3;/q-1;
InChIKeySYMWNGQYMFENFM-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.80
Rot. Bonds2

About 2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium

2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium (PubChem CID 58999609) has the molecular formula C11H12N3OY- and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium.

Molecular Properties

Compound Name2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium
PubChem CID58999609
Molecular FormulaC11H12N3OY-
Molecular Weight291.14 g/mol
Exact Mass291.00
IUPAC Name2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium
SMILESCc1[c-]c2c(cc1)CCC(CN=[N+]=[N-])O2.[Y]
InChIInChI=1S/C11H12N3O.Y/c1-8-2-3-9-4-5-10(7-13-14-12)15-11(9)6-8;/h2-3,10H,4-5,7H2,1H3;/q-1;
InChIKeySYMWNGQYMFENFM-UHFFFAOYSA-N
XLogP2.80
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium?
The IUPAC name of 2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium (CID 58999609) is 2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium.
What is the SMILES notation for 2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium?
The canonical SMILES for 2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium is Cc1[c-]c2c(cc1)CCC(CN=[N+]=[N-])O2.[Y].
What is the InChIKey of 2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium?
The InChIKey is SYMWNGQYMFENFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3O.Y/c1-8-2-3-9-4-5-10(7-13-14-12)15-11(9)6-8;/h2-3,10H,4-5,7H2,1H3;/q-1;.
What are the key properties of 2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium?
2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium has a molecular weight of 291.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium is sourced from PubChem (CID 58999609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).