methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate

C12H15NO3 — CID 86758496

IUPACmethyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate
SMILES[H]/N=C(/C=Cc1ccc(OC)c(OC)c1)OC
InChIInChI=1S/C12H15NO3/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4-8,13H,1-3H3/b7-5?,13-12-
InChIKeyUQKIDLRDWIACHA-PTZOVUSUSA-N
MW221.26 g/mol
LogP2.34
Rot. Bonds4

About methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate

methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate (PubChem CID 86758496) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate
PubChem CID86758496
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate
SMILES[H]/N=C(/C=Cc1ccc(OC)c(OC)c1)OC
InChIInChI=1S/C12H15NO3/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4-8,13H,1-3H3/b7-5?,13-12-
InChIKeyUQKIDLRDWIACHA-PTZOVUSUSA-N
XLogP2.34
TPSA51.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine
CID 46231378
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
1-(3,4-dimethoxyphenyl)pent-1-en-3-one
CID 85437711
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate?
The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate (CID 86758496) is methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate.
What is the SMILES notation for methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate?
The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate is [H]/N=C(/C=Cc1ccc(OC)c(OC)c1)OC.
What is the InChIKey of methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate?
The InChIKey is UQKIDLRDWIACHA-PTZOVUSUSA-N. The full InChI is InChI=1S/C12H15NO3/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4-8,13H,1-3H3/b7-5?,13-12-.
What are the key properties of methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate?
methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate has a molecular weight of 221.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate is sourced from PubChem (CID 86758496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).