N-methyl-N-(3-oxobutyl)nitramide

C5H10N2O3 — CID 119096366

IUPACN-methyl-N-(3-oxobutyl)nitramide
SMILESCC(=O)CCN(C)[N+](=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-5(8)3-4-6(2)7(9)10/h3-4H2,1-2H3
InChIKeyUMNYBKRNCVJRIC-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.09
Rot. Bonds4

About N-methyl-N-(3-oxobutyl)nitramide

N-methyl-N-(3-oxobutyl)nitramide (PubChem CID 119096366) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is N-methyl-N-(3-oxobutyl)nitramide.

Molecular Properties

Compound NameN-methyl-N-(3-oxobutyl)nitramide
PubChem CID119096366
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC NameN-methyl-N-(3-oxobutyl)nitramide
SMILESCC(=O)CCN(C)[N+](=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-5(8)3-4-6(2)7(9)10/h3-4H2,1-2H3
InChIKeyUMNYBKRNCVJRIC-UHFFFAOYSA-N
XLogP0.09
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 N-methyl-N-(3-oxobutyl)nitramide?
The IUPAC name of N-methyl-N-(3-oxobutyl)nitramide (CID 119096366) is N-methyl-N-(3-oxobutyl)nitramide.
What is the SMILES notation for N-methyl-N-(3-oxobutyl)nitramide?
The canonical SMILES for N-methyl-N-(3-oxobutyl)nitramide is CC(=O)CCN(C)[N+](=O)[O-].
What is the InChIKey of N-methyl-N-(3-oxobutyl)nitramide?
The InChIKey is UMNYBKRNCVJRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-5(8)3-4-6(2)7(9)10/h3-4H2,1-2H3.
What are the key properties of N-methyl-N-(3-oxobutyl)nitramide?
N-methyl-N-(3-oxobutyl)nitramide has a molecular weight of 146.15 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-oxobutyl)nitramide is sourced from PubChem (CID 119096366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).