(Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide

C11H12N2O4 — CID 170877724

IUPAC(Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide
SMILESCc1c([N+](=O)[O-])cc(/C=C\C(N)=O)c(O)c1C
InChIInChI=1S/C11H12N2O4/c1-6-7(2)11(15)8(3-4-10(12)14)5-9(6)13(16)17/h3-5,15H,1-2H3,(H2,12,14)/b4-3-
InChIKeyGMQXUADCGSHRCD-ARJAWSKDSA-N
MW236.23 g/mol
LogP1.42
Rot. Bonds3

About (Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide

(Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide (PubChem CID 170877724) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is (Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide
PubChem CID170877724
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name(Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide
SMILESCc1c([N+](=O)[O-])cc(/C=C\C(N)=O)c(O)c1C
InChIInChI=1S/C11H12N2O4/c1-6-7(2)11(15)8(3-4-10(12)14)5-9(6)13(16)17/h3-5,15H,1-2H3,(H2,12,14)/b4-3-
InChIKeyGMQXUADCGSHRCD-ARJAWSKDSA-N
XLogP1.42
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-5-methyl-4-nitrophenyl)prop-2-enamide
CID 169482303
3-(2-fluoro-4-hydroxy-5-nitrophenyl)prop-2-enamide
CID 169482372
(E)-3-(5-hydroxy-2-nitrophenyl)prop-2-enamide
CID 70400933
2,3-dihydroxy-4-methyl-5-nitrobenzaldehyde
CID 175215295
methyl 4-(3-amino-3-oxoprop-1-enyl)-5-fluoro-2-nitrobenzoate
CID 169482654
ethyl (E)-3-(2,4-dimethyl-3,5-dinitrophenyl)prop-2-enoate
CID 23009689
(E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide
CID 21184793
(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide
CID 131233134
(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide
CID 131497818
(E)-3-(3,4,5-tribromo-2-hydroxyphenyl)prop-2-enamide
CID 131551507
3-(2,4-dimethyl-5-nitrophenyl)prop-2-enoic acid
CID 169460858
2,3-dimethyl-4-nitro-6-prop-2-enylphenol
CID 10488526

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide (CID 170877724) is (Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide is Cc1c([N+](=O)[O-])cc(/C=C\C(N)=O)c(O)c1C.
What is the InChIKey of (Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide?
The InChIKey is GMQXUADCGSHRCD-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-6-7(2)11(15)8(3-4-10(12)14)5-9(6)13(16)17/h3-5,15H,1-2H3,(H2,12,14)/b4-3-.
What are the key properties of (Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide?
(Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide has a molecular weight of 236.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 170877724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).