2-methyl-3-nitro-2-nitrosobutane

C5H10N2O3 — CID 119096339

IUPAC2-methyl-3-nitro-2-nitrosobutane
SMILESCC([N+](=O)[O-])C(C)(C)N=O
InChIInChI=1S/C5H10N2O3/c1-4(7(9)10)5(2,3)6-8/h4H,1-3H3
InChIKeyZOLLNFRMUZDSRW-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.20
Rot. Bonds3

About 2-methyl-3-nitro-2-nitrosobutane

2-methyl-3-nitro-2-nitrosobutane (PubChem CID 119096339) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-methyl-3-nitro-2-nitrosobutane.

Molecular Properties

Compound Name2-methyl-3-nitro-2-nitrosobutane
PubChem CID119096339
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-methyl-3-nitro-2-nitrosobutane
SMILESCC([N+](=O)[O-])C(C)(C)N=O
InChIInChI=1S/C5H10N2O3/c1-4(7(9)10)5(2,3)6-8/h4H,1-3H3
InChIKeyZOLLNFRMUZDSRW-UHFFFAOYSA-N
XLogP1.20
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.20
H-Bond Donors ≤ 50
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

2,2-dimethyl-3-nitrobutanenitrile
CID 14112823
3,3-dimethyl-4-nitropentan-1-ol
CID 118212610
4,5-dimethyl-5-nitrosohexan-2-one
CID 13220972
(2R)-2-azido-3,3-dimethyl-1-nitrobutane
CID 122382472
2,2-dimethylpropane trinitrate
CID 18674756
tert-butyl nitrate;nitrous acid
CID 175200282
2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol
CID 23261420
potassium 1-nitroethanolate
CID 101085217
1-nitroethylphosphane
CID 89147319
2-methyl-3-nitrobutane
CID 13185641
1-nitroethane;nitromethane;2-nitropropane
CID 162226378
azane;1-nitroethanol
CID 88789428

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-2-nitrosobutane?
The IUPAC name of 2-methyl-3-nitro-2-nitrosobutane (CID 119096339) is 2-methyl-3-nitro-2-nitrosobutane.
What is the SMILES notation for 2-methyl-3-nitro-2-nitrosobutane?
The canonical SMILES for 2-methyl-3-nitro-2-nitrosobutane is CC([N+](=O)[O-])C(C)(C)N=O.
What is the InChIKey of 2-methyl-3-nitro-2-nitrosobutane?
The InChIKey is ZOLLNFRMUZDSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-4(7(9)10)5(2,3)6-8/h4H,1-3H3.
What are the key properties of 2-methyl-3-nitro-2-nitrosobutane?
2-methyl-3-nitro-2-nitrosobutane has a molecular weight of 146.15 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-2-nitrosobutane is sourced from PubChem (CID 119096339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).