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

C6H10N2O — CID 87085172

IUPAC(E)-3-ethenylimino-2-methoxyprop-1-en-1-amine
SMILESC=C/N=C/C(=C\N)OC
InChIInChI=1S/C6H10N2O/c1-3-8-5-6(4-7)9-2/h3-5H,1,7H2,2H3/b6-4+,8-5+
InChIKeyWSUZGORCCWOWQV-HLQBBKRNSA-N
MW126.16 g/mol
LogP0.65
Rot. Bonds3

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

(E)-3-ethenylimino-2-methoxyprop-1-en-1-amine (PubChem CID 87085172) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (E)-3-ethenylimino-2-methoxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethenylimino-2-methoxyprop-1-en-1-amine
PubChem CID87085172
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(E)-3-ethenylimino-2-methoxyprop-1-en-1-amine
SMILESC=C/N=C/C(=C\N)OC
InChIInChI=1S/C6H10N2O/c1-3-8-5-6(4-7)9-2/h3-5H,1,7H2,2H3/b6-4+,8-5+
InChIKeyWSUZGORCCWOWQV-HLQBBKRNSA-N
XLogP0.65
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
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-ethenylimino-2-methoxyprop-1-en-1-amine?
The IUPAC name of (E)-3-ethenylimino-2-methoxyprop-1-en-1-amine (CID 87085172) is (E)-3-ethenylimino-2-methoxyprop-1-en-1-amine.
What is the SMILES notation for (E)-3-ethenylimino-2-methoxyprop-1-en-1-amine?
The canonical SMILES for (E)-3-ethenylimino-2-methoxyprop-1-en-1-amine is C=C/N=C/C(=C\N)OC.
What is the InChIKey of (E)-3-ethenylimino-2-methoxyprop-1-en-1-amine?
The InChIKey is WSUZGORCCWOWQV-HLQBBKRNSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-8-5-6(4-7)9-2/h3-5H,1,7H2,2H3/b6-4+,8-5+.
What are the key properties of (E)-3-ethenylimino-2-methoxyprop-1-en-1-amine?
(E)-3-ethenylimino-2-methoxyprop-1-en-1-amine has a molecular weight of 126.16 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenylimino-2-methoxyprop-1-en-1-amine is sourced from PubChem (CID 87085172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).