3-(3-formyl-4-methoxyphenyl)prop-2-enamide

C11H11NO3 — CID 169481994

IUPAC3-(3-formyl-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(N)=O)cc1C=O
InChIInChI=1S/C11H11NO3/c1-15-10-4-2-8(3-5-11(12)14)6-9(10)7-13/h2-7H,1H3,(H2,12,14)
InChIKeyCLBXLBSGBRFZDD-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.01
Rot. Bonds4

About 3-(3-formyl-4-methoxyphenyl)prop-2-enamide

3-(3-formyl-4-methoxyphenyl)prop-2-enamide (PubChem CID 169481994) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(3-formyl-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-formyl-4-methoxyphenyl)prop-2-enamide
PubChem CID169481994
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(3-formyl-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(N)=O)cc1C=O
InChIInChI=1S/C11H11NO3/c1-15-10-4-2-8(3-5-11(12)14)6-9(10)7-13/h2-7H,1H3,(H2,12,14)
InChIKeyCLBXLBSGBRFZDD-UHFFFAOYSA-N
XLogP1.01
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-formyl-4-methoxyphenyl)prop-2-enoic acid
CID 123194218
(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide
CID 59104271
[5-[(Z)-3-amino-3-oxoprop-1-enyl]-2-methoxyphenyl]methyl acetate
CID 170877335
S-[3-(3-formyl-4-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457464
3-formyl-4-methoxybenzamide
CID 23141386
(Z)-3-[4-(2-bromoethoxy)-3-methoxyphenyl]prop-2-enamide
CID 170877086
4-(3-formyl-4-methoxyphenyl)but-3-enenitrile
CID 170799939
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
5-[(E)-2-carboxyethenyl]-2-methoxyphenolate
CID 54706233
5-(4-chlorobut-1-enyl)-2-methoxybenzaldehyde
CID 170499390
3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide
CID 70430825
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977

Frequently Asked Questions

What is the IUPAC name of 3-(3-formyl-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(3-formyl-4-methoxyphenyl)prop-2-enamide (CID 169481994) is 3-(3-formyl-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-formyl-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-formyl-4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(N)=O)cc1C=O.
What is the InChIKey of 3-(3-formyl-4-methoxyphenyl)prop-2-enamide?
The InChIKey is CLBXLBSGBRFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-10-4-2-8(3-5-11(12)14)6-9(10)7-13/h2-7H,1H3,(H2,12,14).
What are the key properties of 3-(3-formyl-4-methoxyphenyl)prop-2-enamide?
3-(3-formyl-4-methoxyphenyl)prop-2-enamide has a molecular weight of 205.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-formyl-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 169481994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).