N-(2-formylphenyl)-2-methylprop-2-enamide

C11H11NO2 — CID 154120209

IUPACN-(2-formylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccccc1C=O
InChIInChI=1S/C11H11NO2/c1-8(2)11(14)12-10-6-4-3-5-9(10)7-13/h3-7H,1H2,2H3,(H,12,14)
InChIKeyICSJEXARMZKOBD-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.01
Rot. Bonds3

About N-(2-formylphenyl)-2-methylprop-2-enamide

N-(2-formylphenyl)-2-methylprop-2-enamide (PubChem CID 154120209) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(2-formylphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-formylphenyl)-2-methylprop-2-enamide
PubChem CID154120209
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC NameN-(2-formylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccccc1C=O
InChIInChI=1S/C11H11NO2/c1-8(2)11(14)12-10-6-4-3-5-9(10)7-13/h3-7H,1H2,2H3,(H,12,14)
InChIKeyICSJEXARMZKOBD-UHFFFAOYSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

ethane;N-(2-formylphenyl)acetamide
CID 142055624
N-(2-formylphenyl)-2-methylpropanamide
CID 54327705
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
N-(2-aminophenyl)-2-methylprop-2-enamide;propane
CID 118948381
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
2-(2-methylprop-2-enoylamino)benzenesulfinic acid
CID 57149174
N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide
CID 166444640
N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
CID 163702542
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
N-(2-benzoyl-5-methylphenyl)-2-methylprop-2-enamide
CID 130352471
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809

Frequently Asked Questions

What is the IUPAC name of N-(2-formylphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-formylphenyl)-2-methylprop-2-enamide (CID 154120209) is N-(2-formylphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-formylphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-formylphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccccc1C=O.
What is the InChIKey of N-(2-formylphenyl)-2-methylprop-2-enamide?
The InChIKey is ICSJEXARMZKOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8(2)11(14)12-10-6-4-3-5-9(10)7-13/h3-7H,1H2,2H3,(H,12,14).
What are the key properties of N-(2-formylphenyl)-2-methylprop-2-enamide?
N-(2-formylphenyl)-2-methylprop-2-enamide has a molecular weight of 189.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 154120209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).