5-(3-propylimidazol-4-yl)oxolan-2-one

C10H14N2O2 — CID 103439721

IUPAC5-(3-propylimidazol-4-yl)oxolan-2-one
SMILESCCCn1cncc1C1CCC(=O)O1
InChIInChI=1S/C10H14N2O2/c1-2-5-12-7-11-6-8(12)9-3-4-10(13)14-9/h6-7,9H,2-5H2,1H3
InChIKeyYLSARFSIPADSTN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.67
Rot. Bonds3

About 5-(3-propylimidazol-4-yl)oxolan-2-one

5-(3-propylimidazol-4-yl)oxolan-2-one (PubChem CID 103439721) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(3-propylimidazol-4-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(3-propylimidazol-4-yl)oxolan-2-one
PubChem CID103439721
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-(3-propylimidazol-4-yl)oxolan-2-one
SMILESCCCn1cncc1C1CCC(=O)O1
InChIInChI=1S/C10H14N2O2/c1-2-5-12-7-11-6-8(12)9-3-4-10(13)14-9/h6-7,9H,2-5H2,1H3
InChIKeyYLSARFSIPADSTN-UHFFFAOYSA-N
XLogP1.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-propylimidazol-4-yl)oxolan-2-one 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 5-(3-propylimidazol-4-yl)oxolan-2-one?
The IUPAC name of 5-(3-propylimidazol-4-yl)oxolan-2-one (CID 103439721) is 5-(3-propylimidazol-4-yl)oxolan-2-one.
What is the SMILES notation for 5-(3-propylimidazol-4-yl)oxolan-2-one?
The canonical SMILES for 5-(3-propylimidazol-4-yl)oxolan-2-one is CCCn1cncc1C1CCC(=O)O1.
What is the InChIKey of 5-(3-propylimidazol-4-yl)oxolan-2-one?
The InChIKey is YLSARFSIPADSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-5-12-7-11-6-8(12)9-3-4-10(13)14-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-(3-propylimidazol-4-yl)oxolan-2-one?
5-(3-propylimidazol-4-yl)oxolan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propylimidazol-4-yl)oxolan-2-one is sourced from PubChem (CID 103439721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).