acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)

C12H27NO6Y2-2 — CID 159851547

IUPACacetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)
SMILESC.CC(=O)O.CC(=O)O.CNC(C)=O.[CH2-]C(C)=O.[CH3-].[Y].[Y]
InChIInChI=1S/C3H7NO.C3H5O.2C2H4O2.CH4.CH3.2Y/c1-3(5)4-2;1-3(2)4;2*1-2(3)4;;;;/h1-2H3,(H,4,5);1H2,2H3;2*1H3,(H,3,4);1H4;1H3;;/q;-1;;;;-1;;
InChIKeyVCYUWXKXJIXLJZ-UHFFFAOYSA-N
MW459.16 g/mol
LogP1.42
Rot. Bonds

About acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)

acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium) (PubChem CID 159851547) has the molecular formula C12H27NO6Y2-2 and a molecular weight of 459.16 g/mol. Its IUPAC name is acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium).

Molecular Properties

Compound Nameacetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)
PubChem CID159851547
Molecular FormulaC12H27NO6Y2-2
Molecular Weight459.16 g/mol
Exact Mass459.00
IUPAC Nameacetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)
SMILESC.CC(=O)O.CC(=O)O.CNC(C)=O.[CH2-]C(C)=O.[CH3-].[Y].[Y]
InChIInChI=1S/C3H7NO.C3H5O.2C2H4O2.CH4.CH3.2Y/c1-3(5)4-2;1-3(2)4;2*1-2(3)4;;;;/h1-2H3,(H,4,5);1H2,2H3;2*1H3,(H,3,4);1H4;1H3;;/q;-1;;;;-1;;
InChIKeyVCYUWXKXJIXLJZ-UHFFFAOYSA-N
XLogP1.42
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.16
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(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

acetic acid;acetylazanide;carbanide;methane;N-methylacetamide;yttrium
CID 159202226
methane;N-methylacetamide
CID 169425645
ethane;methane;N-methylacetamide
CID 159401147
CID 159040973
CID 159040973
bis(N-methylacetamide);propan-2-one
CID 158104043
acetic acid;tin(2+);dichloride
CID 163897744
potassium;hydride;N-methylacetamide
CID 173418413
formaldehyde;N-methylacetamide
CID 159490973
carbanide;propan-2-one;vanadium(2+)
CID 153454963
acetic acid;tris(yttrium)
CID 59994727
methanamine;bis(N-methylacetamide);propan-2-one
CID 157204854
methane;tris(N-methylacetamide);N-methylformamide
CID 158395174

Frequently Asked Questions

What is the IUPAC name of acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)?
The IUPAC name of acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium) (CID 159851547) is acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium).
What is the SMILES notation for acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)?
The canonical SMILES for acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium) is C.CC(=O)O.CC(=O)O.CNC(C)=O.[CH2-]C(C)=O.[CH3-].[Y].[Y].
What is the InChIKey of acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)?
The InChIKey is VCYUWXKXJIXLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H5O.2C2H4O2.CH4.CH3.2Y/c1-3(5)4-2;1-3(2)4;2*1-2(3)4;;;;/h1-2H3,(H,4,5);1H2,2H3;2*1H3,(H,3,4);1H4;1H3;;/q;-1;;;;-1;;.
What are the key properties of acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)?
acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium) has a molecular weight of 459.16 g/mol, XLogP of 1.42, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium) is sourced from PubChem (CID 159851547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).