ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate

C12H15NO2 — CID 13378718

IUPACethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate
SMILES[H]/N=C(/C=C/c1ccc(OC)cc1)OCC
InChIInChI=1S/C12H15NO2/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9,13H,3H2,1-2H3/b9-6+,13-12-
InChIKeySWLZMMSBDHWFKC-KYMGNXKASA-N
MW205.26 g/mol
LogP2.72
Rot. Bonds4

About ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate

ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate (PubChem CID 13378718) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate.

Molecular Properties

Compound Nameethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate
PubChem CID13378718
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate
SMILES[H]/N=C(/C=C/c1ccc(OC)cc1)OCC
InChIInChI=1S/C12H15NO2/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9,13H,3H2,1-2H3/b9-6+,13-12-
InChIKeySWLZMMSBDHWFKC-KYMGNXKASA-N
XLogP2.72
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(4-nitrophenyl)prop-2-enimidate
CID 13237618
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
(3-cyano-4-imino-2-oxopentyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7854718
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate
CID 11727535
4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate
CID 5113782
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-6,6,6-trifluoro-5-imino-1-(4-methoxyphenyl)hex-1-en-3-one
CID 7103417
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate?
The IUPAC name of ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate (CID 13378718) is ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate.
What is the SMILES notation for ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate?
The canonical SMILES for ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate is [H]/N=C(/C=C/c1ccc(OC)cc1)OCC.
What is the InChIKey of ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate?
The InChIKey is SWLZMMSBDHWFKC-KYMGNXKASA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9,13H,3H2,1-2H3/b9-6+,13-12-.
What are the key properties of ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate?
ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate has a molecular weight of 205.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(4-methoxyphenyl)prop-2-enimidate is sourced from PubChem (CID 13378718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).