2-Methyl-2-nitrosobutan-1-ol

C₅H₁₁NO₂ — CID 118373158

About 2-Methyl-2-nitrosobutan-1-ol

2-Methyl-2-nitrosobutan-1-ol (PubChem CID 118373158) has the molecular formula C₅H₁₁NO₂ and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-methyl-2-nitrosobutan-1-ol.

Molecular Properties

• Compound Name: 2-Methyl-2-nitrosobutan-1-ol
• PubChem CID: 118373158
• Molecular Formula: C₅H₁₁NO₂
• Molecular Weight: 117.15 g/mol
• Exact Mass: 117.08
• IUPAC Name: 2-methyl-2-nitrosobutan-1-ol
• SMILES: CCC(C)(CO)N=O
• InChI: InChI=1S/C5H11NO2/c1-3-5(2,4-7)6-8/h7H,3-4H2,1-2H3
• InChIKey: KSLANGBMYFVBCY-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 49.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	117.15
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-Methyl-2-nitrosobutan-1-ol?

The IUPAC name of 2-Methyl-2-nitrosobutan-1-ol (CID 118373158) is 2-methyl-2-nitrosobutan-1-ol.

What is the SMILES notation for 2-Methyl-2-nitrosobutan-1-ol?

The canonical SMILES for 2-Methyl-2-nitrosobutan-1-ol is CCC(C)(CO)N=O.

What is the InChIKey of 2-Methyl-2-nitrosobutan-1-ol?

The InChIKey is KSLANGBMYFVBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-5(2,4-7)6-8/h7H,3-4H2,1-2H3.

What are the key properties of 2-Methyl-2-nitrosobutan-1-ol?

2-Methyl-2-nitrosobutan-1-ol has a molecular weight of 117.15 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Methyl-2-nitrosobutan-1-ol is sourced from PubChem (CID 118373158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118373158 — identifiers, structure, computed properties (public domain)

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