N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium

C8H8NO3Y- — CID 59227362

IUPACN-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium
SMILES[CH2-]NC(=O)c1occc(=O)c1C.[Y]
InChIInChI=1S/C8H8NO3.Y/c1-5-6(10)3-4-12-7(5)8(11)9-2;/h3-4H,2H2,1H3,(H,9,11);/q-1;
InChIKeySTWBMVLZZRCDOF-UHFFFAOYSA-N
MW255.06 g/mol
LogP0.47
Rot. Bonds1

About N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium

N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium (PubChem CID 59227362) has the molecular formula C8H8NO3Y- and a molecular weight of 255.06 g/mol. Its IUPAC name is N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium.

Molecular Properties

Compound NameN-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium
PubChem CID59227362
Molecular FormulaC8H8NO3Y-
Molecular Weight255.06 g/mol
Exact Mass254.96
IUPAC NameN-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium
SMILES[CH2-]NC(=O)c1occc(=O)c1C.[Y]
InChIInChI=1S/C8H8NO3.Y/c1-5-6(10)3-4-12-7(5)8(11)9-2;/h3-4H,2H2,1H3,(H,9,11);/q-1;
InChIKeySTWBMVLZZRCDOF-UHFFFAOYSA-N
XLogP0.47
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide
CID 20716494
N-methyl-4H-pyran-2-carboxamide
CID 142682969
5-methyl-3-[(Z)-prop-1-enoxy]-1H-pyridin-2-one
CID 144442384
N,3-dimethyl-4-oxopyran-2-carboxamide
CID 59227363
5-methoxy-N-methyl-4-oxopyran-2-carboxamide
CID 130652262
N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 131155177

Frequently Asked Questions

What is the IUPAC name of N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium?
The IUPAC name of N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium (CID 59227362) is N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium.
What is the SMILES notation for N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium?
The canonical SMILES for N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium is [CH2-]NC(=O)c1occc(=O)c1C.[Y].
What is the InChIKey of N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium?
The InChIKey is STWBMVLZZRCDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO3.Y/c1-5-6(10)3-4-12-7(5)8(11)9-2;/h3-4H,2H2,1H3,(H,9,11);/q-1;.
What are the key properties of N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium?
N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium has a molecular weight of 255.06 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium is sourced from PubChem (CID 59227362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).