N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium

C11H14N3O2Y- — CID 59371793

IUPACN-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium
SMILES[H]/[C-]=C\C(=O)N[C@@H](Cc1cncn1C)C(C)=O.[Y]
InChIInChI=1S/C11H14N3O2.Y/c1-4-11(16)13-10(8(2)15)5-9-6-12-7-14(9)3;/h1,4,6-7,10H,5H2,2-3H3,(H,13,16);/q-1;/t10-;/m0./s1
InChIKeyRCBXWXAQWDZGFE-PPHPATTJSA-N
MW309.16 g/mol
LogP0.02
Rot. Bonds5

About N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium

N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium (PubChem CID 59371793) has the molecular formula C11H14N3O2Y- and a molecular weight of 309.16 g/mol. Its IUPAC name is N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium.

Molecular Properties

Compound NameN-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium
PubChem CID59371793
Molecular FormulaC11H14N3O2Y-
Molecular Weight309.16 g/mol
Exact Mass309.01
IUPAC NameN-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium
SMILES[H]/[C-]=C\C(=O)N[C@@H](Cc1cncn1C)C(C)=O.[Y]
InChIInChI=1S/C11H14N3O2.Y/c1-4-11(16)13-10(8(2)15)5-9-6-12-7-14(9)3;/h1,4,6-7,10H,5H2,2-3H3,(H,13,16);/q-1;/t10-;/m0./s1
InChIKeyRCBXWXAQWDZGFE-PPHPATTJSA-N
XLogP0.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium?
The IUPAC name of N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium (CID 59371793) is N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium.
What is the SMILES notation for N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium?
The canonical SMILES for N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium is [H]/[C-]=C\C(=O)N[C@@H](Cc1cncn1C)C(C)=O.[Y].
What is the InChIKey of N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium?
The InChIKey is RCBXWXAQWDZGFE-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14N3O2.Y/c1-4-11(16)13-10(8(2)15)5-9-6-12-7-14(9)3;/h1,4,6-7,10H,5H2,2-3H3,(H,13,16);/q-1;/t10-;/m0./s1.
What are the key properties of N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium?
N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium has a molecular weight of 309.16 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium is sourced from PubChem (CID 59371793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).