3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide

C12H13NO3 — CID 169482230

IUPAC3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide
SMILESCCC(=O)c1cc(C=CC(N)=O)ccc1O
InChIInChI=1S/C12H13NO3/c1-2-10(14)9-7-8(3-5-11(9)15)4-6-12(13)16/h3-7,15H,2H2,1H3,(H2,13,16)
InChIKeyFBSFTRLWUCSZJK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.48
Rot. Bonds4

About 3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide

3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide (PubChem CID 169482230) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide
PubChem CID169482230
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide
SMILESCCC(=O)c1cc(C=CC(N)=O)ccc1O
InChIInChI=1S/C12H13NO3/c1-2-10(14)9-7-8(3-5-11(9)15)4-6-12(13)16/h3-7,15H,2H2,1H3,(H2,13,16)
InChIKeyFBSFTRLWUCSZJK-UHFFFAOYSA-N
XLogP1.48
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide
CID 59104271
(E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 15643084
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one
CID 134105467
methyl 5-(3-amino-3-oxoprop-1-enyl)-2-fluorobenzoate
CID 169482221
2-hydroxy-5-(4-oxobut-1-enyl)benzamide
CID 170482288
2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide
CID 169455593
(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide
CID 55267143

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide (CID 169482230) is 3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide is CCC(=O)c1cc(C=CC(N)=O)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide?
The InChIKey is FBSFTRLWUCSZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-10(14)9-7-8(3-5-11(9)15)4-6-12(13)16/h3-7,15H,2H2,1H3,(H2,13,16).
What are the key properties of 3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide?
3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide has a molecular weight of 219.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide is sourced from PubChem (CID 169482230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).