(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide

C10H9NO3 — CID 59104271

IUPAC(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(O)c(C=O)c1
InChIInChI=1S/C10H9NO3/c11-10(14)4-2-7-1-3-9(13)8(5-7)6-12/h1-6,13H,(H2,11,14)/b4-2+
InChIKeyKBVSYFXQXYMOSU-DUXPYHPUSA-N
MW191.19 g/mol
LogP0.70
Rot. Bonds3

About (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide

(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide (PubChem CID 59104271) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide
PubChem CID59104271
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(O)c(C=O)c1
InChIInChI=1S/C10H9NO3/c11-10(14)4-2-7-1-3-9(13)8(5-7)6-12/h1-6,13H,(H2,11,14)/b4-2+
InChIKeyKBVSYFXQXYMOSU-DUXPYHPUSA-N
XLogP0.70
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
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

ethyl (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoate
CID 10775274
3-(3-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481994
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde
CID 139586286
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
2-hydroxy-5-(4-oxobut-1-enyl)benzaldehyde
CID 170481700
2-hydroxy-5-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]benzaldehyde
CID 21338011
aminocarbamothioylazanium;5-bromo-2-hydroxybenzaldehyde;(E)-3-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-4-hydroxyphenyl]prop-2-enamide;(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide;prop-2-enamide
CID 172960552
3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide
CID 169482230
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 15189859
(E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide
CID 21184793

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide (CID 59104271) is (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide is NC(=O)/C=C/c1ccc(O)c(C=O)c1.
What is the InChIKey of (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is KBVSYFXQXYMOSU-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H9NO3/c11-10(14)4-2-7-1-3-9(13)8(5-7)6-12/h1-6,13H,(H2,11,14)/b4-2+.
What are the key properties of (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide?
(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide has a molecular weight of 191.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 59104271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).