N-[(Z)-1-methoxybut-1-en-2-yl]methanimine

C6H11NO — CID 89041768

IUPACN-[(Z)-1-methoxybut-1-en-2-yl]methanimine
SMILESC=N/C(=C\OC)CC
InChIInChI=1S/C6H11NO/c1-4-6(7-2)5-8-3/h5H,2,4H2,1,3H3/b6-5-
InChIKeyXEXRMKMMZOZZIF-WAYWQWQTSA-N
MW113.16 g/mol
LogP1.58
Rot. Bonds3

About N-[(Z)-1-methoxybut-1-en-2-yl]methanimine

N-[(Z)-1-methoxybut-1-en-2-yl]methanimine (PubChem CID 89041768) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-[(Z)-1-methoxybut-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-methoxybut-1-en-2-yl]methanimine
PubChem CID89041768
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-[(Z)-1-methoxybut-1-en-2-yl]methanimine
SMILESC=N/C(=C\OC)CC
InChIInChI=1S/C6H11NO/c1-4-6(7-2)5-8-3/h5H,2,4H2,1,3H3/b6-5-
InChIKeyXEXRMKMMZOZZIF-WAYWQWQTSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-methoxybut-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-methoxybut-1-en-2-yl]methanimine (CID 89041768) is N-[(Z)-1-methoxybut-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-methoxybut-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-methoxybut-1-en-2-yl]methanimine is C=N/C(=C\OC)CC.
What is the InChIKey of N-[(Z)-1-methoxybut-1-en-2-yl]methanimine?
The InChIKey is XEXRMKMMZOZZIF-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(7-2)5-8-3/h5H,2,4H2,1,3H3/b6-5-.
What are the key properties of N-[(Z)-1-methoxybut-1-en-2-yl]methanimine?
N-[(Z)-1-methoxybut-1-en-2-yl]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-[(Z)-1-methoxybut-1-en-2-yl]methanimine is sourced from PubChem (CID 89041768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).