3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile

C9H15NO3 — CID 79129931

IUPAC3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile
SMILESCOCC(C)(O)C1(C#N)CCOC1
InChIInChI=1S/C9H15NO3/c1-8(11,6-12-2)9(5-10)3-4-13-7-9/h11H,3-4,6-7H2,1-2H3
InChIKeyZOJISCXSYJDJKK-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.31
Rot. Bonds3

About 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile

3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile (PubChem CID 79129931) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile
PubChem CID79129931
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile
SMILESCOCC(C)(O)C1(C#N)CCOC1
InChIInChI=1S/C9H15NO3/c1-8(11,6-12-2)9(5-10)3-4-13-7-9/h11H,3-4,6-7H2,1-2H3
InChIKeyZOJISCXSYJDJKK-UHFFFAOYSA-N
XLogP0.31
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile 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 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile?
The IUPAC name of 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile (CID 79129931) is 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile?
The canonical SMILES for 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile is COCC(C)(O)C1(C#N)CCOC1.
What is the InChIKey of 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile?
The InChIKey is ZOJISCXSYJDJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8(11,6-12-2)9(5-10)3-4-13-7-9/h11H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile?
3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile has a molecular weight of 185.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-1-methoxypropan-2-yl)oxolane-3-carbonitrile is sourced from PubChem (CID 79129931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).