4-(2-methoxyphenyl)but-3-enamide

C11H13NO2 — CID 170797506

IUPAC4-(2-methoxyphenyl)but-3-enamide
SMILESCOc1ccccc1C=CCC(N)=O
InChIInChI=1S/C11H13NO2/c1-14-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyIWDDCHZQYCVGQW-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.58
Rot. Bonds4

About 4-(2-methoxyphenyl)but-3-enamide

4-(2-methoxyphenyl)but-3-enamide (PubChem CID 170797506) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)but-3-enamide
PubChem CID170797506
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-(2-methoxyphenyl)but-3-enamide
SMILESCOc1ccccc1C=CCC(N)=O
InChIInChI=1S/C11H13NO2/c1-14-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyIWDDCHZQYCVGQW-UHFFFAOYSA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
methyl 3-(4-amino-4-oxobut-1-enyl)-4-methoxybenzoate
CID 170798767
4-(2-formyl-4,5-dimethoxyphenyl)but-3-enamide
CID 170798764
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
4-[2-(2-oxopropyl)phenyl]but-3-enamide
CID 170798223
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
3-(2-methoxyphenyl)prop-2-enyl cyclopropanecarboxylate
CID 54289019
S-[4-(2-methoxyphenyl)but-3-enyl] ethanethioate
CID 170479712

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)but-3-enamide?
The IUPAC name of 4-(2-methoxyphenyl)but-3-enamide (CID 170797506) is 4-(2-methoxyphenyl)but-3-enamide.
What is the SMILES notation for 4-(2-methoxyphenyl)but-3-enamide?
The canonical SMILES for 4-(2-methoxyphenyl)but-3-enamide is COc1ccccc1C=CCC(N)=O.
What is the InChIKey of 4-(2-methoxyphenyl)but-3-enamide?
The InChIKey is IWDDCHZQYCVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-7H,8H2,1H3,(H2,12,13).
What are the key properties of 4-(2-methoxyphenyl)but-3-enamide?
4-(2-methoxyphenyl)but-3-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)but-3-enamide is sourced from PubChem (CID 170797506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).