N-[(E)-1-methoxyprop-1-enyl]methanimine

C5H9NO — CID 142929876

IUPACN-[(E)-1-methoxyprop-1-enyl]methanimine
SMILESC=N/C(=C\C)OC
InChIInChI=1S/C5H9NO/c1-4-5(6-2)7-3/h4H,2H2,1,3H3/b5-4+
InChIKeyXZFUNGWAFRUJAF-SNAWJCMRSA-N
MW99.13 g/mol
LogP1.19
Rot. Bonds2

About N-[(E)-1-methoxyprop-1-enyl]methanimine

N-[(E)-1-methoxyprop-1-enyl]methanimine (PubChem CID 142929876) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N-[(E)-1-methoxyprop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-1-methoxyprop-1-enyl]methanimine
PubChem CID142929876
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN-[(E)-1-methoxyprop-1-enyl]methanimine
SMILESC=N/C(=C\C)OC
InChIInChI=1S/C5H9NO/c1-4-5(6-2)7-3/h4H,2H2,1,3H3/b5-4+
InChIKeyXZFUNGWAFRUJAF-SNAWJCMRSA-N
XLogP1.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-methoxyprop-1-enyl]methanimine?
The IUPAC name of N-[(E)-1-methoxyprop-1-enyl]methanimine (CID 142929876) is N-[(E)-1-methoxyprop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-1-methoxyprop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-1-methoxyprop-1-enyl]methanimine is C=N/C(=C\C)OC.
What is the InChIKey of N-[(E)-1-methoxyprop-1-enyl]methanimine?
The InChIKey is XZFUNGWAFRUJAF-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-5(6-2)7-3/h4H,2H2,1,3H3/b5-4+.
What are the key properties of N-[(E)-1-methoxyprop-1-enyl]methanimine?
N-[(E)-1-methoxyprop-1-enyl]methanimine has a molecular weight of 99.13 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-methoxyprop-1-enyl]methanimine is sourced from PubChem (CID 142929876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).