ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium

C10H21N2O2Y- — CID 158828530

IUPACethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium
SMILESCC.[CH2-]N1CCC(C(=O)N(C)OC)C1.[Y]
InChIInChI=1S/C8H15N2O2.C2H6.Y/c1-9-5-4-7(6-9)8(11)10(2)12-3;1-2;/h7H,1,4-6H2,2-3H3;1-2H3;/q-1;;
InChIKeyNXCGGDMBXGNVKF-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.14
Rot. Bonds2

About ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium

ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium (PubChem CID 158828530) has the molecular formula C10H21N2O2Y- and a molecular weight of 290.20 g/mol. Its IUPAC name is ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium.

Molecular Properties

Compound Nameethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium
PubChem CID158828530
Molecular FormulaC10H21N2O2Y-
Molecular Weight290.20 g/mol
Exact Mass290.07
IUPAC Nameethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium
SMILESCC.[CH2-]N1CCC(C(=O)N(C)OC)C1.[Y]
InChIInChI=1S/C8H15N2O2.C2H6.Y/c1-9-5-4-7(6-9)8(11)10(2)12-3;1-2;/h7H,1,4-6H2,2-3H3;1-2H3;/q-1;;
InChIKeyNXCGGDMBXGNVKF-UHFFFAOYSA-N
XLogP1.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium?
The IUPAC name of ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium (CID 158828530) is ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium.
What is the SMILES notation for ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium?
The canonical SMILES for ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium is CC.[CH2-]N1CCC(C(=O)N(C)OC)C1.[Y].
What is the InChIKey of ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium?
The InChIKey is NXCGGDMBXGNVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O2.C2H6.Y/c1-9-5-4-7(6-9)8(11)10(2)12-3;1-2;/h7H,1,4-6H2,2-3H3;1-2H3;/q-1;;.
What are the key properties of ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium?
ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium has a molecular weight of 290.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium is sourced from PubChem (CID 158828530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).