2-hydroxy-2-methylpropanamide;nitrobenzene

C10H14N2O4 — CID 174384140

IUPAC2-hydroxy-2-methylpropanamide;nitrobenzene
SMILESCC(C)(O)C(N)=O.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.C4H9NO2/c8-7(9)6-4-2-1-3-5-6;1-4(2,7)3(5)6/h1-5H;7H,1-2H3,(H2,5,6)
InChIKeyBEXQSHOOUBXOEO-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.84
Rot. Bonds2

About 2-hydroxy-2-methylpropanamide;nitrobenzene

2-hydroxy-2-methylpropanamide;nitrobenzene (PubChem CID 174384140) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-hydroxy-2-methylpropanamide;nitrobenzene.

Molecular Properties

Compound Name2-hydroxy-2-methylpropanamide;nitrobenzene
PubChem CID174384140
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-hydroxy-2-methylpropanamide;nitrobenzene
SMILESCC(C)(O)C(N)=O.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.C4H9NO2/c8-7(9)6-4-2-1-3-5-6;1-4(2,7)3(5)6/h1-5H;7H,1-2H3,(H2,5,6)
InChIKeyBEXQSHOOUBXOEO-UHFFFAOYSA-N
XLogP0.84
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 173344007
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CID 174553859
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CID 23197461
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CID 22989049

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylpropanamide;nitrobenzene?
The IUPAC name of 2-hydroxy-2-methylpropanamide;nitrobenzene (CID 174384140) is 2-hydroxy-2-methylpropanamide;nitrobenzene.
What is the SMILES notation for 2-hydroxy-2-methylpropanamide;nitrobenzene?
The canonical SMILES for 2-hydroxy-2-methylpropanamide;nitrobenzene is CC(C)(O)C(N)=O.O=[N+]([O-])c1ccccc1.
What is the InChIKey of 2-hydroxy-2-methylpropanamide;nitrobenzene?
The InChIKey is BEXQSHOOUBXOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C4H9NO2/c8-7(9)6-4-2-1-3-5-6;1-4(2,7)3(5)6/h1-5H;7H,1-2H3,(H2,5,6).
What are the key properties of 2-hydroxy-2-methylpropanamide;nitrobenzene?
2-hydroxy-2-methylpropanamide;nitrobenzene has a molecular weight of 226.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylpropanamide;nitrobenzene is sourced from PubChem (CID 174384140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).