(E)-3-imino-2-methoxyprop-1-en-1-amine

C4H8N2O — CID 89279236

IUPAC(E)-3-imino-2-methoxyprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)OC
InChIInChI=1S/C4H8N2O/c1-7-4(2-5)3-6/h2-3,5H,6H2,1H3/b4-3+,5-2+
InChIKeyOMZGGQAEOCAMOZ-JWVZGZSZSA-N
MW100.12 g/mol
LogP0.08
Rot. Bonds2

About (E)-3-imino-2-methoxyprop-1-en-1-amine

(E)-3-imino-2-methoxyprop-1-en-1-amine (PubChem CID 89279236) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (E)-3-imino-2-methoxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-imino-2-methoxyprop-1-en-1-amine
PubChem CID89279236
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(E)-3-imino-2-methoxyprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)OC
InChIInChI=1S/C4H8N2O/c1-7-4(2-5)3-6/h2-3,5H,6H2,1H3/b4-3+,5-2+
InChIKeyOMZGGQAEOCAMOZ-JWVZGZSZSA-N
XLogP0.08
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-imino-2-methoxyprop-1-en-1-amine?
The IUPAC name of (E)-3-imino-2-methoxyprop-1-en-1-amine (CID 89279236) is (E)-3-imino-2-methoxyprop-1-en-1-amine.
What is the SMILES notation for (E)-3-imino-2-methoxyprop-1-en-1-amine?
The canonical SMILES for (E)-3-imino-2-methoxyprop-1-en-1-amine is [H]/N=C/C(=C\N)OC.
What is the InChIKey of (E)-3-imino-2-methoxyprop-1-en-1-amine?
The InChIKey is OMZGGQAEOCAMOZ-JWVZGZSZSA-N. The full InChI is InChI=1S/C4H8N2O/c1-7-4(2-5)3-6/h2-3,5H,6H2,1H3/b4-3+,5-2+.
What are the key properties of (E)-3-imino-2-methoxyprop-1-en-1-amine?
(E)-3-imino-2-methoxyprop-1-en-1-amine has a molecular weight of 100.12 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-imino-2-methoxyprop-1-en-1-amine is sourced from PubChem (CID 89279236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).