methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate

C11H13NO2 — CID 12987045

IUPACmethyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate
SMILESCO/N=C(/C=C/c1ccccc1)OC
InChIInChI=1S/C11H13NO2/c1-13-11(12-14-2)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+,12-11-
InChIKeyYRTGFLDYFXFOPJ-UPDVNHGHSA-N
MW191.23 g/mol
LogP2.31
Rot. Bonds3

About methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate

methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate (PubChem CID 12987045) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate.

Molecular Properties

Compound Namemethyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate
PubChem CID12987045
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate
SMILESCO/N=C(/C=C/c1ccccc1)OC
InChIInChI=1S/C11H13NO2/c1-13-11(12-14-2)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+,12-11-
InChIKeyYRTGFLDYFXFOPJ-UPDVNHGHSA-N
XLogP2.31
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate
CID 15262562
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
CID 102344328
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
3-methylbut-2-enoic acid;methyl 3-phenylprop-2-enoate
CID 70180890
methyl 4-oxo-6-phenylhexa-2,5-dienoate
CID 57362438
CID 175667798
CID 175667798
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
methyl (E,2E)-2-benzylidene-4-phenylbut-3-enoate
CID 23634618
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836

Frequently Asked Questions

What is the IUPAC name of methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate?
The IUPAC name of methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate (CID 12987045) is methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate.
What is the SMILES notation for methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate?
The canonical SMILES for methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate is CO/N=C(/C=C/c1ccccc1)OC.
What is the InChIKey of methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate?
The InChIKey is YRTGFLDYFXFOPJ-UPDVNHGHSA-N. The full InChI is InChI=1S/C11H13NO2/c1-13-11(12-14-2)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+,12-11-.
What are the key properties of methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate?
methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate has a molecular weight of 191.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate is sourced from PubChem (CID 12987045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).