ethane;N-(3-nitrophenyl)prop-2-enamide

C11H14N2O3 — CID 142347687

IUPACethane;N-(3-nitrophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cccc([N+](=O)[O-])c1.CC
InChIInChI=1S/C9H8N2O3.C2H6/c1-2-9(12)10-7-4-3-5-8(6-7)11(13)14;1-2/h2-6H,1H2,(H,10,12);1-2H3
InChIKeyWDVPSBLNPUNERD-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.75
Rot. Bonds3

About ethane;N-(3-nitrophenyl)prop-2-enamide

ethane;N-(3-nitrophenyl)prop-2-enamide (PubChem CID 142347687) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethane;N-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Nameethane;N-(3-nitrophenyl)prop-2-enamide
PubChem CID142347687
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethane;N-(3-nitrophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cccc([N+](=O)[O-])c1.CC
InChIInChI=1S/C9H8N2O3.C2H6/c1-2-9(12)10-7-4-3-5-8(6-7)11(13)14;1-2/h2-6H,1H2,(H,10,12);1-2H3
InChIKeyWDVPSBLNPUNERD-UHFFFAOYSA-N
XLogP2.75
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze ethane;N-(3-nitrophenyl)prop-2-enamide 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

ethane;N-(3-nitrophenyl)acetamide
CID 90876834
3-methoxy-N-(3-nitrophenyl)but-2-enamide
CID 54522333
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724
ethane;methanol;N-methyl-3-nitroaniline
CID 144908950
3-(2,6-dimethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 963710
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
(E)-3-(3-methylthiophen-2-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 9410959
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of ethane;N-(3-nitrophenyl)prop-2-enamide (CID 142347687) is ethane;N-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for ethane;N-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for ethane;N-(3-nitrophenyl)prop-2-enamide is C=CC(=O)Nc1cccc([N+](=O)[O-])c1.CC.
What is the InChIKey of ethane;N-(3-nitrophenyl)prop-2-enamide?
The InChIKey is WDVPSBLNPUNERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3.C2H6/c1-2-9(12)10-7-4-3-5-8(6-7)11(13)14;1-2/h2-6H,1H2,(H,10,12);1-2H3.
What are the key properties of ethane;N-(3-nitrophenyl)prop-2-enamide?
ethane;N-(3-nitrophenyl)prop-2-enamide has a molecular weight of 222.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 142347687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).