methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium

C10H13N2O2Y- — CID 59034572

IUPACmethyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium
SMILESCOC(=O)/C(C)=[C-]/C(C#N)=CN(C)C.[Y]
InChIInChI=1S/C10H13N2O2.Y/c1-8(10(13)14-4)5-9(6-11)7-12(2)3;/h7H,1-4H3;/q-1;
InChIKeyKLAIBLDXCYVMNN-UHFFFAOYSA-N
MW282.13 g/mol
LogP0.88
Rot. Bonds3

About methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium

methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium (PubChem CID 59034572) has the molecular formula C10H13N2O2Y- and a molecular weight of 282.13 g/mol. Its IUPAC name is methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium.

Molecular Properties

Compound Namemethyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium
PubChem CID59034572
Molecular FormulaC10H13N2O2Y-
Molecular Weight282.13 g/mol
Exact Mass282.00
IUPAC Namemethyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium
SMILESCOC(=O)/C(C)=[C-]/C(C#N)=CN(C)C.[Y]
InChIInChI=1S/C10H13N2O2.Y/c1-8(10(13)14-4)5-9(6-11)7-12(2)3;/h7H,1-4H3;/q-1;
InChIKeyKLAIBLDXCYVMNN-UHFFFAOYSA-N
XLogP0.88
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium?
The IUPAC name of methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium (CID 59034572) is methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium.
What is the SMILES notation for methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium?
The canonical SMILES for methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium is COC(=O)/C(C)=[C-]/C(C#N)=CN(C)C.[Y].
What is the InChIKey of methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium?
The InChIKey is KLAIBLDXCYVMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O2.Y/c1-8(10(13)14-4)5-9(6-11)7-12(2)3;/h7H,1-4H3;/q-1;.
What are the key properties of methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium?
methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium has a molecular weight of 282.13 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-5-(dimethylamino)-2-methylpenta-2,4-dienoate;yttrium is sourced from PubChem (CID 59034572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).