3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile

C11H15N3O — CID 116880224

IUPAC3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile
SMILESN#CCCc1ncc(C2CCOCC2)[nH]1
InChIInChI=1S/C11H15N3O/c12-5-1-2-11-13-8-10(14-11)9-3-6-15-7-4-9/h8-9H,1-4,6-7H2,(H,13,14)
InChIKeyBYSARUOKSAKVLO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.76
Rot. Bonds3

About 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile

3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile (PubChem CID 116880224) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile
PubChem CID116880224
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile
SMILESN#CCCc1ncc(C2CCOCC2)[nH]1
InChIInChI=1S/C11H15N3O/c12-5-1-2-11-13-8-10(14-11)9-3-6-15-7-4-9/h8-9H,1-4,6-7H2,(H,13,14)
InChIKeyBYSARUOKSAKVLO-UHFFFAOYSA-N
XLogP1.76
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile 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-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile?
The IUPAC name of 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile (CID 116880224) is 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile.
What is the SMILES notation for 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile?
The canonical SMILES for 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile is N#CCCc1ncc(C2CCOCC2)[nH]1.
What is the InChIKey of 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile?
The InChIKey is BYSARUOKSAKVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-5-1-2-11-13-8-10(14-11)9-3-6-15-7-4-9/h8-9H,1-4,6-7H2,(H,13,14).
What are the key properties of 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile?
3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile is sourced from PubChem (CID 116880224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).