2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol

C8H15NO2 — CID 126978381

IUPAC2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol
SMILESC=C(CC)CN1CC(O)CO1
InChIInChI=1S/C8H15NO2/c1-3-7(2)4-9-5-8(10)6-11-9/h8,10H,2-6H2,1H3
InChIKeyAHRKBTPIOSLGBV-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.56
Rot. Bonds3

About 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol

2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol (PubChem CID 126978381) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol
PubChem CID126978381
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol
SMILESC=C(CC)CN1CC(O)CO1
InChIInChI=1S/C8H15NO2/c1-3-7(2)4-9-5-8(10)6-11-9/h8,10H,2-6H2,1H3
InChIKeyAHRKBTPIOSLGBV-UHFFFAOYSA-N
XLogP0.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol?
The IUPAC name of 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol (CID 126978381) is 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol.
What is the SMILES notation for 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol?
The canonical SMILES for 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol is C=C(CC)CN1CC(O)CO1.
What is the InChIKey of 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol?
The InChIKey is AHRKBTPIOSLGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-7(2)4-9-5-8(10)6-11-9/h8,10H,2-6H2,1H3.
What are the key properties of 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol?
2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol has a molecular weight of 157.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenebutyl)-1,2-oxazolidin-4-ol is sourced from PubChem (CID 126978381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).