(2-iminoethylideneamino) methanimidate

C3H5N3O — CID 54223769

IUPAC(2-iminoethylideneamino) methanimidate
SMILES[H]/N=C/C=NO/C=N/[H]
InChIInChI=1S/C3H5N3O/c4-1-2-6-7-3-5/h1-5H/b4-1+,5-3+,6-2?
InChIKeyQELCBCVPWZLTTN-FDGKXLSFSA-N
MW99.09 g/mol
LogP0.25
Rot. Bonds3

About (2-iminoethylideneamino) methanimidate

(2-iminoethylideneamino) methanimidate (PubChem CID 54223769) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is (2-iminoethylideneamino) methanimidate.

Molecular Properties

Compound Name(2-iminoethylideneamino) methanimidate
PubChem CID54223769
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name(2-iminoethylideneamino) methanimidate
SMILES[H]/N=C/C=NO/C=N/[H]
InChIInChI=1S/C3H5N3O/c4-1-2-6-7-3-5/h1-5H/b4-1+,5-3+,6-2?
InChIKeyQELCBCVPWZLTTN-FDGKXLSFSA-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 (2-iminoethylideneamino) methanimidate?
The IUPAC name of (2-iminoethylideneamino) methanimidate (CID 54223769) is (2-iminoethylideneamino) methanimidate.
What is the SMILES notation for (2-iminoethylideneamino) methanimidate?
The canonical SMILES for (2-iminoethylideneamino) methanimidate is [H]/N=C/C=NO/C=N/[H].
What is the InChIKey of (2-iminoethylideneamino) methanimidate?
The InChIKey is QELCBCVPWZLTTN-FDGKXLSFSA-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 (2-iminoethylideneamino) methanimidate?
(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 (2-iminoethylideneamino) methanimidate is sourced from PubChem (CID 54223769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).