4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one

C9H11N3O2 — CID 19838407

IUPAC4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one
SMILESO=C1CC(CCC(=O)n2ccnc2)N1
InChIInChI=1S/C9H11N3O2/c13-8-5-7(11-8)1-2-9(14)12-4-3-10-6-12/h3-4,6-7H,1-2,5H2,(H,11,13)
InChIKeyHAQOEZOMHMJWIQ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.19
Rot. Bonds3

About 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one

4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one (PubChem CID 19838407) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one.

Molecular Properties

Compound Name4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one
PubChem CID19838407
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one
SMILESO=C1CC(CCC(=O)n2ccnc2)N1
InChIInChI=1S/C9H11N3O2/c13-8-5-7(11-8)1-2-9(14)12-4-3-10-6-12/h3-4,6-7H,1-2,5H2,(H,11,13)
InChIKeyHAQOEZOMHMJWIQ-UHFFFAOYSA-N
XLogP0.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-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 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one?
The IUPAC name of 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one (CID 19838407) is 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one.
What is the SMILES notation for 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one?
The canonical SMILES for 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one is O=C1CC(CCC(=O)n2ccnc2)N1.
What is the InChIKey of 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one?
The InChIKey is HAQOEZOMHMJWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-5-7(11-8)1-2-9(14)12-4-3-10-6-12/h3-4,6-7H,1-2,5H2,(H,11,13).
What are the key properties of 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one?
4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one has a molecular weight of 193.21 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one is sourced from PubChem (CID 19838407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).