(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide

C11H13NO2 — CID 5375231

IUPAC(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
SMILESCOc1cccc(/C=C(\C)C(N)=O)c1
InChIInChI=1S/C11H13NO2/c1-8(11(12)13)6-9-4-3-5-10(7-9)14-2/h3-7H,1-2H3,(H2,12,13)/b8-6+
InChIKeyFVODGZCMOKTMEP-SOFGYWHQSA-N
MW191.23 g/mol
LogP1.58
Rot. Bonds3

About (E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide

(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide (PubChem CID 5375231) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
PubChem CID5375231
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
SMILESCOc1cccc(/C=C(\C)C(N)=O)c1
InChIInChI=1S/C11H13NO2/c1-8(11(12)13)6-9-4-3-5-10(7-9)14-2/h3-7H,1-2H3,(H2,12,13)/b8-6+
InChIKeyFVODGZCMOKTMEP-SOFGYWHQSA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
methyl 2-amino-3-(3-methoxyphenyl)prop-2-enoate
CID 141072187
(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal
CID 134285602
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enamide
CID 143272339
(E)-2-methyl-3-(3-phenylphenyl)prop-2-enamide
CID 127034031
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386
(E)-2-bromo-3-(3-methoxyphenyl)prop-2-enal
CID 172528523
methyl 2-[(3-methoxyphenyl)methylidene]-3-oxobutanoate
CID 54100081
5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride
CID 141059857
N-(diaminomethylidene)-3-(3-methoxyphenyl)prop-2-enamide
CID 69436299

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide (CID 5375231) is (E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide is COc1cccc(/C=C(\C)C(N)=O)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide?
The InChIKey is FVODGZCMOKTMEP-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(11(12)13)6-9-4-3-5-10(7-9)14-2/h3-7H,1-2H3,(H2,12,13)/b8-6+.
What are the key properties of (E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide?
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 5375231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).