methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium

C11H12N3O3Y- — CID 59951748

IUPACmethyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium
SMILESC/[C-]=N\Oc1ncncc1/C(=C\C)C(=O)OC.[Y]
InChIInChI=1S/C11H12N3O3.Y/c1-4-8(11(15)16-3)9-6-12-7-13-10(9)17-14-5-2;/h4,6-7H,1-3H3;/q-1;/b8-4+;
InChIKeyWGTVUYYHVGKNLC-ZFXMFRGYSA-N
MW323.14 g/mol
LogP1.31
Rot. Bonds4

About methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium

methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium (PubChem CID 59951748) has the molecular formula C11H12N3O3Y- and a molecular weight of 323.14 g/mol. Its IUPAC name is methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium.

Molecular Properties

Compound Namemethyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium
PubChem CID59951748
Molecular FormulaC11H12N3O3Y-
Molecular Weight323.14 g/mol
Exact Mass322.99
IUPAC Namemethyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium
SMILESC/[C-]=N\Oc1ncncc1/C(=C\C)C(=O)OC.[Y]
InChIInChI=1S/C11H12N3O3.Y/c1-4-8(11(15)16-3)9-6-12-7-13-10(9)17-14-5-2;/h4,6-7H,1-3H3;/q-1;/b8-4+;
InChIKeyWGTVUYYHVGKNLC-ZFXMFRGYSA-N
XLogP1.31
TPSA73.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium?
The IUPAC name of methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium (CID 59951748) is methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium.
What is the SMILES notation for methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium?
The canonical SMILES for methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium is C/[C-]=N\Oc1ncncc1/C(=C\C)C(=O)OC.[Y].
What is the InChIKey of methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium?
The InChIKey is WGTVUYYHVGKNLC-ZFXMFRGYSA-N. The full InChI is InChI=1S/C11H12N3O3.Y/c1-4-8(11(15)16-3)9-6-12-7-13-10(9)17-14-5-2;/h4,6-7H,1-3H3;/q-1;/b8-4+;.
What are the key properties of methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium?
methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium has a molecular weight of 323.14 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[4-(ethylideneamino)oxypyrimidin-5-yl]but-2-enoate;yttrium is sourced from PubChem (CID 59951748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).