ethane;methanimidoyl methanimidate

C4H10N2O — CID 142059267

IUPACethane;methanimidoyl methanimidate
SMILESCC.[H]/N=C/O/C=N/[H]
InChIInChI=1S/C2H4N2O.C2H6/c3-1-5-2-4;1-2/h1-4H;1-2H3/b3-1+,4-2+;
InChIKeyRCOOBQBNZWHJKA-LMFJUDGVSA-N
MW102.14 g/mol
LogP1.24
Rot. Bonds2

About ethane;methanimidoyl methanimidate

ethane;methanimidoyl methanimidate (PubChem CID 142059267) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is ethane;methanimidoyl methanimidate.

Molecular Properties

Compound Nameethane;methanimidoyl methanimidate
PubChem CID142059267
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Nameethane;methanimidoyl methanimidate
SMILESCC.[H]/N=C/O/C=N/[H]
InChIInChI=1S/C2H4N2O.C2H6/c3-1-5-2-4;1-2/h1-4H;1-2H3/b3-1+,4-2+;
InChIKeyRCOOBQBNZWHJKA-LMFJUDGVSA-N
XLogP1.24
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;methanimidoyl methanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methanimidoyl methanimidate?
The IUPAC name of ethane;methanimidoyl methanimidate (CID 142059267) is ethane;methanimidoyl methanimidate.
What is the SMILES notation for ethane;methanimidoyl methanimidate?
The canonical SMILES for ethane;methanimidoyl methanimidate is CC.[H]/N=C/O/C=N/[H].
What is the InChIKey of ethane;methanimidoyl methanimidate?
The InChIKey is RCOOBQBNZWHJKA-LMFJUDGVSA-N. The full InChI is InChI=1S/C2H4N2O.C2H6/c3-1-5-2-4;1-2/h1-4H;1-2H3/b3-1+,4-2+;.
What are the key properties of ethane;methanimidoyl methanimidate?
ethane;methanimidoyl methanimidate has a molecular weight of 102.14 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanimidoyl methanimidate is sourced from PubChem (CID 142059267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).