(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide

C10H11NO3 — CID 54694629

IUPAC(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C(O)=C/C(N)=O)cc1
InChIInChI=1S/C10H11NO3/c1-14-8-4-2-7(3-5-8)9(12)6-10(11)13/h2-6,12H,1H3,(H2,11,13)/b9-6-
InChIKeySRBPCPVBWZANKZ-TWGQIWQCSA-N
MW193.20 g/mol
LogP1.08
Rot. Bonds3

About (Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide

(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 54694629) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID54694629
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C(O)=C/C(N)=O)cc1
InChIInChI=1S/C10H11NO3/c1-14-8-4-2-7(3-5-8)9(12)6-10(11)13/h2-6,12H,1H3,(H2,11,13)/b9-6-
InChIKeySRBPCPVBWZANKZ-TWGQIWQCSA-N
XLogP1.08
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,1,1-trichloro-4-hydroxy-4-(4-methoxyphenyl)but-3-en-2-one
CID 56955791
(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-one;ethane
CID 145267325
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
bis(carbamothioic S-acid);3-hydroxy-1-(4-methoxyphenyl)-3-(3-methylphenyl)prop-2-en-1-one;methane
CID 173052865
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913
S-phenyl (Z)-3-amino-3-(4-methoxyphenyl)prop-2-enethioate
CID 102048729
[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
CID 139084678
CID 12714057
CID 12714057
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide (CID 54694629) is (Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C(O)=C/C(N)=O)cc1.
What is the InChIKey of (Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is SRBPCPVBWZANKZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-8-4-2-7(3-5-8)9(12)6-10(11)13/h2-6,12H,1H3,(H2,11,13)/b9-6-.
What are the key properties of (Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide?
(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 193.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 54694629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).