[(E)-2-iminoethylideneamino] methanimidate

C3H5N3O — CID 23450577

IUPAC[(E)-2-iminoethylideneamino] methanimidate
SMILES[H]/N=C/C=N/O/C=N/[H]
InChIInChI=1S/C3H5N3O/c4-1-2-6-7-3-5/h1-5H/b4-1+,5-3+,6-2+
InChIKeyQELCBCVPWZLTTN-TVHVQBQNSA-N
MW99.09 g/mol
LogP0.25
Rot. Bonds3

About [(E)-2-iminoethylideneamino] methanimidate

[(E)-2-iminoethylideneamino] methanimidate (PubChem CID 23450577) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is [(E)-2-iminoethylideneamino] methanimidate.

Molecular Properties

Compound Name[(E)-2-iminoethylideneamino] methanimidate
PubChem CID23450577
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name[(E)-2-iminoethylideneamino] methanimidate
SMILES[H]/N=C/C=N/O/C=N/[H]
InChIInChI=1S/C3H5N3O/c4-1-2-6-7-3-5/h1-5H/b4-1+,5-3+,6-2+
InChIKeyQELCBCVPWZLTTN-TVHVQBQNSA-N
XLogP0.25
TPSA69.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-iminoethylideneamino] methanimidate?
The IUPAC name of [(E)-2-iminoethylideneamino] methanimidate (CID 23450577) is [(E)-2-iminoethylideneamino] methanimidate.
What is the SMILES notation for [(E)-2-iminoethylideneamino] methanimidate?
The canonical SMILES for [(E)-2-iminoethylideneamino] methanimidate is [H]/N=C/C=N/O/C=N/[H].
What is the InChIKey of [(E)-2-iminoethylideneamino] methanimidate?
The InChIKey is QELCBCVPWZLTTN-TVHVQBQNSA-N. The full InChI is InChI=1S/C3H5N3O/c4-1-2-6-7-3-5/h1-5H/b4-1+,5-3+,6-2+.
What are the key properties of [(E)-2-iminoethylideneamino] methanimidate?
[(E)-2-iminoethylideneamino] methanimidate has a molecular weight of 99.09 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-iminoethylideneamino] methanimidate is sourced from PubChem (CID 23450577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).