N-[(E)-2-ethoxyprop-1-enyl]methanimine

C6H11NO — CID 143586253

IUPACN-[(E)-2-ethoxyprop-1-enyl]methanimine
SMILESC=N/C=C(\C)OCC
InChIInChI=1S/C6H11NO/c1-4-8-6(2)5-7-3/h5H,3-4H2,1-2H3/b6-5+
InChIKeyYGLFGWRYKQOZJA-AATRIKPKSA-N
MW113.16 g/mol
LogP1.58
Rot. Bonds3

About N-[(E)-2-ethoxyprop-1-enyl]methanimine

N-[(E)-2-ethoxyprop-1-enyl]methanimine (PubChem CID 143586253) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-[(E)-2-ethoxyprop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-ethoxyprop-1-enyl]methanimine
PubChem CID143586253
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-[(E)-2-ethoxyprop-1-enyl]methanimine
SMILESC=N/C=C(\C)OCC
InChIInChI=1S/C6H11NO/c1-4-8-6(2)5-7-3/h5H,3-4H2,1-2H3/b6-5+
InChIKeyYGLFGWRYKQOZJA-AATRIKPKSA-N
XLogP1.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

Ethane;1-oxa-3-azacyclohexa-2,4,5-triene
CID 142049478
N-[(Z)-2-methoxyprop-1-enyl]ethanimine
CID 142265858
Ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene
CID 143333876
ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine
CID 145443431
N-[(Z)-2-methoxyprop-1-enyl]methanimine
CID 145443432
2-Methyl-1-oxa-4-azacyclohexa-2,4,5-triene
CID 154530732
N-[(E)-2-methoxyprop-1-enyl]methanimine
CID 156741271
ethenyl N-(2-methylprop-1-enyl)methanimidate
CID 163813322
N-(2-prop-1-en-2-yloxyethyl)methanimine
CID 143803498
N-[(E)-2-methoxyprop-1-enyl]ethanimine
CID 145129611

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-ethoxyprop-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-ethoxyprop-1-enyl]methanimine (CID 143586253) is N-[(E)-2-ethoxyprop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-ethoxyprop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-ethoxyprop-1-enyl]methanimine is C=N/C=C(\C)OCC.
What is the InChIKey of N-[(E)-2-ethoxyprop-1-enyl]methanimine?
The InChIKey is YGLFGWRYKQOZJA-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-8-6(2)5-7-3/h5H,3-4H2,1-2H3/b6-5+.
What are the key properties of N-[(E)-2-ethoxyprop-1-enyl]methanimine?
N-[(E)-2-ethoxyprop-1-enyl]methanimine has a molecular weight of 113.16 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethoxyprop-1-enyl]methanimine is sourced from PubChem (CID 143586253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).