4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+)

C10H10NO2Y+2 — CID 20619268

IUPAC4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+)
SMILESCc1c[c-]cc2c1OC(=O)CC2N.[Y+3]
InChIInChI=1S/C10H10NO2.Y/c1-6-3-2-4-7-8(11)5-9(12)13-10(6)7;/h3-4,8H,5,11H2,1H3;/q-1;+3
InChIKeyHJUYDGSGQFUCDK-UHFFFAOYSA-N
MW265.10 g/mol
LogP1.10
Rot. Bonds

About 4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+)

4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+) (PubChem CID 20619268) has the molecular formula C10H10NO2Y+2 and a molecular weight of 265.10 g/mol. Its IUPAC name is 4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+).

Molecular Properties

Compound Name4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+)
PubChem CID20619268
Molecular FormulaC10H10NO2Y+2
Molecular Weight265.10 g/mol
Exact Mass264.98
IUPAC Name4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+)
SMILESCc1c[c-]cc2c1OC(=O)CC2N.[Y+3]
InChIInChI=1S/C10H10NO2.Y/c1-6-3-2-4-7-8(11)5-9(12)13-10(6)7;/h3-4,8H,5,11H2,1H3;/q-1;+3
InChIKeyHJUYDGSGQFUCDK-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+)?
The IUPAC name of 4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+) (CID 20619268) is 4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+).
What is the SMILES notation for 4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+)?
The canonical SMILES for 4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+) is Cc1c[c-]cc2c1OC(=O)CC2N.[Y+3].
What is the InChIKey of 4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+)?
The InChIKey is HJUYDGSGQFUCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO2.Y/c1-6-3-2-4-7-8(11)5-9(12)13-10(6)7;/h3-4,8H,5,11H2,1H3;/q-1;+3.
What are the key properties of 4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+)?
4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+) has a molecular weight of 265.10 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methyl-4,6-dihydro-3H-chromen-6-id-2-one;yttrium(3+) is sourced from PubChem (CID 20619268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).