tert-butyl N-methanidylcarbamate;ethane;yttrium

C8H17NO2Y-2 — CID 178136631

IUPACtert-butyl N-methanidylcarbamate;ethane;yttrium
SMILES[CH2-]C.[CH2-]NC(=O)OC(C)(C)C.[Y]
InChIInChI=1S/C6H12NO2.C2H5.Y/c1-6(2,3)9-5(8)7-4;1-2;/h4H2,1-3H3,(H,7,8);1H2,2H3;/q2*-1;
InChIKeyAPFZLNOCDKNZSH-UHFFFAOYSA-N
MW248.13 g/mol
LogP2.14
Rot. Bonds

About tert-butyl N-methanidylcarbamate;ethane;yttrium

tert-butyl N-methanidylcarbamate;ethane;yttrium (PubChem CID 178136631) has the molecular formula C8H17NO2Y-2 and a molecular weight of 248.13 g/mol. Its IUPAC name is tert-butyl N-methanidylcarbamate;ethane;yttrium.

Molecular Properties

Compound Nametert-butyl N-methanidylcarbamate;ethane;yttrium
PubChem CID178136631
Molecular FormulaC8H17NO2Y-2
Molecular Weight248.13 g/mol
Exact Mass248.03
IUPAC Nametert-butyl N-methanidylcarbamate;ethane;yttrium
SMILES[CH2-]C.[CH2-]NC(=O)OC(C)(C)C.[Y]
InChIInChI=1S/C6H12NO2.C2H5.Y/c1-6(2,3)9-5(8)7-4;1-2;/h4H2,1-3H3,(H,7,8);1H2,2H3;/q2*-1;
InChIKeyAPFZLNOCDKNZSH-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methanidylcarbamate;ethane;yttrium?
The IUPAC name of tert-butyl N-methanidylcarbamate;ethane;yttrium (CID 178136631) is tert-butyl N-methanidylcarbamate;ethane;yttrium.
What is the SMILES notation for tert-butyl N-methanidylcarbamate;ethane;yttrium?
The canonical SMILES for tert-butyl N-methanidylcarbamate;ethane;yttrium is [CH2-]C.[CH2-]NC(=O)OC(C)(C)C.[Y].
What is the InChIKey of tert-butyl N-methanidylcarbamate;ethane;yttrium?
The InChIKey is APFZLNOCDKNZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2.C2H5.Y/c1-6(2,3)9-5(8)7-4;1-2;/h4H2,1-3H3,(H,7,8);1H2,2H3;/q2*-1;.
What are the key properties of tert-butyl N-methanidylcarbamate;ethane;yttrium?
tert-butyl N-methanidylcarbamate;ethane;yttrium has a molecular weight of 248.13 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methanidylcarbamate;ethane;yttrium is sourced from PubChem (CID 178136631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).