2-methyl-2-nitropropanamide

C4H8N2O3 — CID 55281739

IUPAC2-methyl-2-nitropropanamide
SMILESCC(C)(C(N)=O)[N+](=O)[O-]
InChIInChI=1S/C4H8N2O3/c1-4(2,3(5)7)6(8)9/h1-2H3,(H2,5,7)
InChIKeyZNWGHUSWGUABCS-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.47
Rot. Bonds2

About 2-methyl-2-nitropropanamide

2-methyl-2-nitropropanamide (PubChem CID 55281739) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 2-methyl-2-nitropropanamide.

Molecular Properties

Compound Name2-methyl-2-nitropropanamide
PubChem CID55281739
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name2-methyl-2-nitropropanamide
SMILESCC(C)(C(N)=O)[N+](=O)[O-]
InChIInChI=1S/C4H8N2O3/c1-4(2,3(5)7)6(8)9/h1-2H3,(H2,5,7)
InChIKeyZNWGHUSWGUABCS-UHFFFAOYSA-N
XLogP-0.47
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.47
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nitropropanamide?
The IUPAC name of 2-methyl-2-nitropropanamide (CID 55281739) is 2-methyl-2-nitropropanamide.
What is the SMILES notation for 2-methyl-2-nitropropanamide?
The canonical SMILES for 2-methyl-2-nitropropanamide is CC(C)(C(N)=O)[N+](=O)[O-].
What is the InChIKey of 2-methyl-2-nitropropanamide?
The InChIKey is ZNWGHUSWGUABCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-4(2,3(5)7)6(8)9/h1-2H3,(H2,5,7).
What are the key properties of 2-methyl-2-nitropropanamide?
2-methyl-2-nitropropanamide has a molecular weight of 132.12 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nitropropanamide is sourced from PubChem (CID 55281739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).