carbanide;ethane;iminomethyl methanimidate;yttrium

C5H12N2OY-2 — CID 177186714

IUPACcarbanide;ethane;iminomethyl methanimidate;yttrium
SMILESCC.[CH3-].[H]/N=[C-]/O/C=N/[H].[Y]
InChIInChI=1S/C2H3N2O.C2H6.CH3.Y/c3-1-5-2-4;1-2;;/h1,3-4H;1-2H3;1H3;/q-1;;-1;/b3-1+;;;
InChIKeyDJVPKTZDGCQPEA-SMZBABNXSA-N
MW205.07 g/mol
LogP1.57
Rot. Bonds2

About carbanide;ethane;iminomethyl methanimidate;yttrium

carbanide;ethane;iminomethyl methanimidate;yttrium (PubChem CID 177186714) has the molecular formula C5H12N2OY-2 and a molecular weight of 205.07 g/mol. Its IUPAC name is carbanide;ethane;iminomethyl methanimidate;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;iminomethyl methanimidate;yttrium
PubChem CID177186714
Molecular FormulaC5H12N2OY-2
Molecular Weight205.07 g/mol
Exact Mass205.00
IUPAC Namecarbanide;ethane;iminomethyl methanimidate;yttrium
SMILESCC.[CH3-].[H]/N=[C-]/O/C=N/[H].[Y]
InChIInChI=1S/C2H3N2O.C2H6.CH3.Y/c3-1-5-2-4;1-2;;/h1,3-4H;1-2H3;1H3;/q-1;;-1;/b3-1+;;;
InChIKeyDJVPKTZDGCQPEA-SMZBABNXSA-N
XLogP1.57
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;iminomethyl methanimidate;yttrium?
The IUPAC name of carbanide;ethane;iminomethyl methanimidate;yttrium (CID 177186714) is carbanide;ethane;iminomethyl methanimidate;yttrium.
What is the SMILES notation for carbanide;ethane;iminomethyl methanimidate;yttrium?
The canonical SMILES for carbanide;ethane;iminomethyl methanimidate;yttrium is CC.[CH3-].[H]/N=[C-]/O/C=N/[H].[Y].
What is the InChIKey of carbanide;ethane;iminomethyl methanimidate;yttrium?
The InChIKey is DJVPKTZDGCQPEA-SMZBABNXSA-N. The full InChI is InChI=1S/C2H3N2O.C2H6.CH3.Y/c3-1-5-2-4;1-2;;/h1,3-4H;1-2H3;1H3;/q-1;;-1;/b3-1+;;;.
What are the key properties of carbanide;ethane;iminomethyl methanimidate;yttrium?
carbanide;ethane;iminomethyl methanimidate;yttrium has a molecular weight of 205.07 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;iminomethyl methanimidate;yttrium is sourced from PubChem (CID 177186714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).