2-methyl-2-nitrosobutan-1-ol

C5H11NO2 — CID 118373158

IUPAC2-methyl-2-nitrosobutan-1-ol
SMILESCCC(C)(CO)N=O
InChIInChI=1S/C5H11NO2/c1-3-5(2,4-7)6-8/h7H,3-4H2,1-2H3
InChIKeyKSLANGBMYFVBCY-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.91
Rot. Bonds3

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 Name2-methyl-2-nitrosobutan-1-ol
PubChem CID118373158
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-methyl-2-nitrosobutan-1-ol
SMILESCCC(C)(CO)N=O
InChIInChI=1S/C5H11NO2/c1-3-5(2,4-7)6-8/h7H,3-4H2,1-2H3
InChIKeyKSLANGBMYFVBCY-UHFFFAOYSA-N
XLogP0.91
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).