N-[4-(2-nitroprop-1-enyl)phenyl]acetamide

C11H12N2O3 — CID 583179

IUPACN-[4-(2-nitroprop-1-enyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=C(C)[N+](=O)[O-])cc1
InChIInChI=1S/C11H12N2O3/c1-8(13(15)16)7-10-3-5-11(6-4-10)12-9(2)14/h3-7H,1-2H3,(H,12,14)
InChIKeyHLJNUAALUOPPOK-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.28
Rot. Bonds3

About N-[4-(2-nitroprop-1-enyl)phenyl]acetamide

N-[4-(2-nitroprop-1-enyl)phenyl]acetamide (PubChem CID 583179) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[4-(2-nitroprop-1-enyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-nitroprop-1-enyl)phenyl]acetamide
PubChem CID583179
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-[4-(2-nitroprop-1-enyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=C(C)[N+](=O)[O-])cc1
InChIInChI=1S/C11H12N2O3/c1-8(13(15)16)7-10-3-5-11(6-4-10)12-9(2)14/h3-7H,1-2H3,(H,12,14)
InChIKeyHLJNUAALUOPPOK-UHFFFAOYSA-N
XLogP2.28
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2-nitroprop-1-enyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitroprop-1-enylbenzene
CID 12807
[4-[(E)-2-nitroprop-1-enyl]phenyl] ethaneperoxoate
CID 23199922
(4-acetamidophenyl)azanium;nitrate;hydrate
CID 139083871
1-(2-nitroprop-1-enyl)-4-(trifluoromethoxy)benzene
CID 53396123
2-[4-(2-nitroprop-1-enyl)phenyl]sulfanylethanol
CID 70529156
1-[4-[(E)-2-nitroprop-1-enyl]phenyl]piperidine
CID 12547493
(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 6112838
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene
CID 76936147
N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide
CID 3598154
diethyl 2-[4-(2-nitroprop-1-enyl)phenoxy]propanedioate
CID 54235317
N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide
CID 67930388

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-nitroprop-1-enyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-nitroprop-1-enyl)phenyl]acetamide (CID 583179) is N-[4-(2-nitroprop-1-enyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-nitroprop-1-enyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-nitroprop-1-enyl)phenyl]acetamide is CC(=O)Nc1ccc(C=C(C)[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(2-nitroprop-1-enyl)phenyl]acetamide?
The InChIKey is HLJNUAALUOPPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8(13(15)16)7-10-3-5-11(6-4-10)12-9(2)14/h3-7H,1-2H3,(H,12,14).
What are the key properties of N-[4-(2-nitroprop-1-enyl)phenyl]acetamide?
N-[4-(2-nitroprop-1-enyl)phenyl]acetamide has a molecular weight of 220.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-nitroprop-1-enyl)phenyl]acetamide is sourced from PubChem (CID 583179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).