2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine

C8H13NO — CID 142024406

IUPAC2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine
SMILESC=CC/N=C/CO/C=C/C
InChIInChI=1S/C8H13NO/c1-3-5-9-6-8-10-7-4-2/h3-4,6-7H,1,5,8H2,2H3/b7-4+,9-6+
InChIKeyJSMRDAOITLMRDZ-KRHXFINASA-N
MW139.20 g/mol
LogP1.79
Rot. Bonds5

About 2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine

2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine (PubChem CID 142024406) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine.

Molecular Properties

Compound Name2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine
PubChem CID142024406
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine
SMILESC=CC/N=C/CO/C=C/C
InChIInChI=1S/C8H13NO/c1-3-5-9-6-8-10-7-4-2/h3-4,6-7H,1,5,8H2,2H3/b7-4+,9-6+
InChIKeyJSMRDAOITLMRDZ-KRHXFINASA-N
XLogP1.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine?
The IUPAC name of 2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine (CID 142024406) is 2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine.
What is the SMILES notation for 2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine?
The canonical SMILES for 2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine is C=CC/N=C/CO/C=C/C.
What is the InChIKey of 2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine?
The InChIKey is JSMRDAOITLMRDZ-KRHXFINASA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-9-6-8-10-7-4-2/h3-4,6-7H,1,5,8H2,2H3/b7-4+,9-6+.
What are the key properties of 2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine?
2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine has a molecular weight of 139.20 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enoxy]-N-prop-2-enylethanimine is sourced from PubChem (CID 142024406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).