N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine

C8H15NO — CID 143452722

IUPACN-[(Z)-2-methoxyprop-1-enyl]butan-1-imine
SMILESCCC/C=N/C=C(/C)OC
InChIInChI=1S/C8H15NO/c1-4-5-6-9-7-8(2)10-3/h6-7H,4-5H2,1-3H3/b8-7-,9-6+
InChIKeyJYVWYBXWGVDSJU-SOKJVCRVSA-N
MW141.21 g/mol
LogP2.37
Rot. Bonds4

About N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine

N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine (PubChem CID 143452722) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine.

Molecular Properties

Compound NameN-[(Z)-2-methoxyprop-1-enyl]butan-1-imine
PubChem CID143452722
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-[(Z)-2-methoxyprop-1-enyl]butan-1-imine
SMILESCCC/C=N/C=C(/C)OC
InChIInChI=1S/C8H15NO/c1-4-5-6-9-7-8(2)10-3/h6-7H,4-5H2,1-3H3/b8-7-,9-6+
InChIKeyJYVWYBXWGVDSJU-SOKJVCRVSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.37
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)-2-methoxyprop-1-enyl]butan-1-imine?
The IUPAC name of N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine (CID 143452722) is N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine.
What is the SMILES notation for N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine?
The canonical SMILES for N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine is CCC/C=N/C=C(/C)OC.
What is the InChIKey of N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine?
The InChIKey is JYVWYBXWGVDSJU-SOKJVCRVSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-9-7-8(2)10-3/h6-7H,4-5H2,1-3H3/b8-7-,9-6+.
What are the key properties of N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine?
N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine has a molecular weight of 141.21 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine is sourced from PubChem (CID 143452722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).