acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium

C11H26N2O6Y-2 — CID 159202226

IUPACacetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium
SMILESC.CC(=O)O.CC(=O)O.CC([NH-])=O.CNC(C)=O.[CH3-].[Y]
InChIInChI=1S/C3H7NO.C2H5NO.2C2H4O2.CH4.CH3.Y/c1-3(5)4-2;3*1-2(3)4;;;/h1-2H3,(H,4,5);1H3,(H2,3,4);2*1H3,(H,3,4);1H4;1H3;/q;;;;;-1;/p-1
InChIKeyLRWGIRPDDQFOCK-UHFFFAOYSA-M
MW371.24 g/mol
LogP1.60
Rot. Bonds

About acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium

acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium (PubChem CID 159202226) has the molecular formula C11H26N2O6Y-2 and a molecular weight of 371.24 g/mol. Its IUPAC name is acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium.

Molecular Properties

Compound Nameacetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium
PubChem CID159202226
Molecular FormulaC11H26N2O6Y-2
Molecular Weight371.24 g/mol
Exact Mass371.09
IUPAC Nameacetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium
SMILESC.CC(=O)O.CC(=O)O.CC([NH-])=O.CNC(C)=O.[CH3-].[Y]
InChIInChI=1S/C3H7NO.C2H5NO.2C2H4O2.CH4.CH3.Y/c1-3(5)4-2;3*1-2(3)4;;;/h1-2H3,(H,4,5);1H3,(H2,3,4);2*1H3,(H,3,4);1H4;1H3;/q;;;;;-1;/p-1
InChIKeyLRWGIRPDDQFOCK-UHFFFAOYSA-M
XLogP1.60
TPSA144.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium?
The IUPAC name of acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium (CID 159202226) is acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium.
What is the SMILES notation for acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium?
The canonical SMILES for acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium is C.CC(=O)O.CC(=O)O.CC([NH-])=O.CNC(C)=O.[CH3-].[Y].
What is the InChIKey of acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium?
The InChIKey is LRWGIRPDDQFOCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO.C2H5NO.2C2H4O2.CH4.CH3.Y/c1-3(5)4-2;3*1-2(3)4;;;/h1-2H3,(H,4,5);1H3,(H2,3,4);2*1H3,(H,3,4);1H4;1H3;/q;;;;;-1;/p-1.
What are the key properties of acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium?
acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium has a molecular weight of 371.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium is sourced from PubChem (CID 159202226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).