(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one

C11H17N3O2 — CID 137034869

IUPAC(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one
SMILESC/C(O)=C(/C(=O)N1CCCC1)C1=NCCN1
InChIInChI=1S/C11H17N3O2/c1-8(15)9(10-12-4-5-13-10)11(16)14-6-2-3-7-14/h15H,2-7H2,1H3,(H,12,13)/b9-8-
InChIKeyCKRBOJKGKCBQJH-HJWRWDBZSA-N
MW223.28 g/mol
LogP0.44
Rot. Bonds2

About (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one

(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one (PubChem CID 137034869) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one
PubChem CID137034869
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one
SMILESC/C(O)=C(/C(=O)N1CCCC1)C1=NCCN1
InChIInChI=1S/C11H17N3O2/c1-8(15)9(10-12-4-5-13-10)11(16)14-6-2-3-7-14/h15H,2-7H2,1H3,(H,12,13)/b9-8-
InChIKeyCKRBOJKGKCBQJH-HJWRWDBZSA-N
XLogP0.44
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-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 (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one?
The IUPAC name of (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one (CID 137034869) is (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one?
The canonical SMILES for (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one is C/C(O)=C(/C(=O)N1CCCC1)C1=NCCN1.
What is the InChIKey of (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one?
The InChIKey is CKRBOJKGKCBQJH-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(15)9(10-12-4-5-13-10)11(16)14-6-2-3-7-14/h15H,2-7H2,1H3,(H,12,13)/b9-8-.
What are the key properties of (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one?
(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one has a molecular weight of 223.28 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one is sourced from PubChem (CID 137034869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).