(Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide

C12H15NO2 — CID 139239578

IUPAC(Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide
SMILESC/C(O)=C/C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C12H15NO2/c1-8-5-4-6-9(2)12(8)13-11(15)7-10(3)14/h4-7,14H,1-3H3,(H,13,15)/b10-7-
InChIKeyQRNXFLNFSPOOMQ-YFHOEESVSA-N
MW205.26 g/mol
LogP2.70
Rot. Bonds2

About (Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide

(Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide (PubChem CID 139239578) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide
PubChem CID139239578
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide
SMILESC/C(O)=C/C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C12H15NO2/c1-8-5-4-6-9(2)12(8)13-11(15)7-10(3)14/h4-7,14H,1-3H3,(H,13,15)/b10-7-
InChIKeyQRNXFLNFSPOOMQ-YFHOEESVSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
(Z)-3-(2,6-dimethylanilino)-1-phenylbut-2-en-1-one
CID 177395416
N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide
CID 86134695
1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108910047
(Z)-3-(2,6-dimethylanilino)but-2-enenitrile
CID 121011428
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
(E)-N-(2,6-dimethylphenyl)-3-(1H-indazol-6-yl)prop-2-enamide
CID 168865120
N-[(2,6-dimethylphenyl)carbamoyl]-N-phenylacetamide
CID 24854469
(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
CID 176944148
4-(2-methyl-6-propan-2-ylanilino)-4-oxobut-2-enoic acid
CID 1415900
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
N-(2,6-dimethylphenyl)but-3-enamide
CID 90820575

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide?
The IUPAC name of (Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide (CID 139239578) is (Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide.
What is the SMILES notation for (Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide?
The canonical SMILES for (Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide is C/C(O)=C/C(=O)Nc1c(C)cccc1C.
What is the InChIKey of (Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide?
The InChIKey is QRNXFLNFSPOOMQ-YFHOEESVSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-5-4-6-9(2)12(8)13-11(15)7-10(3)14/h4-7,14H,1-3H3,(H,13,15)/b10-7-.
What are the key properties of (Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide?
(Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide is sourced from PubChem (CID 139239578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).