(E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine

C11H13NO — CID 134868821

IUPAC(E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine
SMILESC/C=C/c1ccccc1/C=N/OC
InChIInChI=1S/C11H13NO/c1-3-6-10-7-4-5-8-11(10)9-12-13-2/h3-9H,1-2H3/b6-3+,12-9+
InChIKeyFIKSQSOEXNETPU-QXSAOOQGSA-N
MW175.23 g/mol
LogP2.70
Rot. Bonds3

About (E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine

(E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine (PubChem CID 134868821) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine
PubChem CID134868821
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine
SMILESC/C=C/c1ccccc1/C=N/OC
InChIInChI=1S/C11H13NO/c1-3-6-10-7-4-5-8-11(10)9-12-13-2/h3-9H,1-2H3/b6-3+,12-9+
InChIKeyFIKSQSOEXNETPU-QXSAOOQGSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine?
The IUPAC name of (E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine (CID 134868821) is (E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine.
What is the SMILES notation for (E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine?
The canonical SMILES for (E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine is C/C=C/c1ccccc1/C=N/OC.
What is the InChIKey of (E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine?
The InChIKey is FIKSQSOEXNETPU-QXSAOOQGSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-6-10-7-4-5-8-11(10)9-12-13-2/h3-9H,1-2H3/b6-3+,12-9+.
What are the key properties of (E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine?
(E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine has a molecular weight of 175.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[2-[(E)-prop-1-enyl]phenyl]methanimine is sourced from PubChem (CID 134868821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).