2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine

C7H11NO — CID 146187115

IUPAC2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C(/C=N/C=C\C)OC
InChIInChI=1S/C7H11NO/c1-4-5-8-6-7(2)9-3/h4-6H,2H2,1,3H3/b5-4-,8-6+
InChIKeyQFPZIZSQGRFBPK-GSGSLZOQSA-N
MW125.17 g/mol
LogP1.75
Rot. Bonds3

About 2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine

2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (PubChem CID 146187115) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
PubChem CID146187115
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C(/C=N/C=C\C)OC
InChIInChI=1S/C7H11NO/c1-4-5-8-6-7(2)9-3/h4-6H,2H2,1,3H3/b5-4-,8-6+
InChIKeyQFPZIZSQGRFBPK-GSGSLZOQSA-N
XLogP1.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.75
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 2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The IUPAC name of 2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (CID 146187115) is 2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is C=C(/C=N/C=C\C)OC.
What is the InChIKey of 2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The InChIKey is QFPZIZSQGRFBPK-GSGSLZOQSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-5-8-6-7(2)9-3/h4-6H,2H2,1,3H3/b5-4-,8-6+.
What are the key properties of 2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine has a molecular weight of 125.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 146187115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).