2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide

C12H14N2O3 — CID 174908369

IUPAC2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide
SMILESC=Cc1cc(C(C)(C)C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O3/c1-4-8-7-9(12(2,3)11(13)15)5-6-10(8)14(16)17/h4-7H,1H2,2-3H3,(H2,13,15)
InChIKeyIAHQNOPCIKJBLO-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.00
Rot. Bonds4

About 2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide

2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide (PubChem CID 174908369) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide
PubChem CID174908369
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide
SMILESC=Cc1cc(C(C)(C)C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O3/c1-4-8-7-9(12(2,3)11(13)15)5-6-10(8)14(16)17/h4-7H,1H2,2-3H3,(H2,13,15)
InChIKeyIAHQNOPCIKJBLO-UHFFFAOYSA-N
XLogP2.00
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.00
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'}

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Related Compounds

3-ethenyl-4-nitrophenol
CID 18352402
2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide
CID 71188447
CID 171371571
CID 171371571
(2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid
CID 90098257
4-tert-butyl-2-nitrophenolate
CID 101202828
4-tert-butyl-2-nitrobenzaldehyde
CID 77174841
2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide
CID 606095
2-(4-aminophenyl)-2-methylpropanamide;hydrochloride
CID 155973359
(E)-3-(5-hydroxy-2-nitrophenyl)prop-2-enamide
CID 70400933
1-ethenyl-2,5-dimethoxy-4-nitrobenzene
CID 54152856
1-(4-tert-butyl-2-nitrophenyl)ethanone
CID 3490198
1-ethenyl-2-nitrobenzene;phenol
CID 174937072

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide (CID 174908369) is 2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide is C=Cc1cc(C(C)(C)C(N)=O)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide?
The InChIKey is IAHQNOPCIKJBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-4-8-7-9(12(2,3)11(13)15)5-6-10(8)14(16)17/h4-7H,1H2,2-3H3,(H2,13,15).
What are the key properties of 2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide?
2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide has a molecular weight of 234.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 174908369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).