bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol

C10H13NO2 — CID 67931751

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol
SMILESOCC1CNCO1.c1cc2cc-2c1
InChIInChI=1S/C6H4.C4H9NO2/c1-2-5-4-6(5)3-1;6-2-4-1-5-3-7-4/h1-4H;4-6H,1-3H2
InChIKeyHFFBYLYELVWNJU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.59
Rot. Bonds1

About bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol

bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol (PubChem CID 67931751) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol
PubChem CID67931751
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol
SMILESOCC1CNCO1.c1cc2cc-2c1
InChIInChI=1S/C6H4.C4H9NO2/c1-2-5-4-6(5)3-1;6-2-4-1-5-3-7-4/h1-4H;4-6H,1-3H2
InChIKeyHFFBYLYELVWNJU-UHFFFAOYSA-N
XLogP0.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol 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 bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol (CID 67931751) is bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol is OCC1CNCO1.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol?
The InChIKey is HFFBYLYELVWNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C4H9NO2/c1-2-5-4-6(5)3-1;6-2-4-1-5-3-7-4/h1-4H;4-6H,1-3H2.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol?
bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol has a molecular weight of 179.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;1,3-oxazolidin-5-ylmethanol is sourced from PubChem (CID 67931751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).