2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone

C11H17N3O3 — CID 90789362

IUPAC2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2cc(O)[nH]c2O)CC1
InChIInChI=1S/C11H17N3O3/c1-13-2-4-14(5-3-13)10(16)7-8-6-9(15)12-11(8)17/h6,12,15,17H,2-5,7H2,1H3
InChIKeyPLXNHVIKCPWPAI-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.26
Rot. Bonds2

About 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 90789362) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID90789362
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2cc(O)[nH]c2O)CC1
InChIInChI=1S/C11H17N3O3/c1-13-2-4-14(5-3-13)10(16)7-8-6-9(15)12-11(8)17/h6,12,15,17H,2-5,7H2,1H3
InChIKeyPLXNHVIKCPWPAI-UHFFFAOYSA-N
XLogP-0.26
TPSA79.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone 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 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 90789362) is 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cc2cc(O)[nH]c2O)CC1.
What is the InChIKey of 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is PLXNHVIKCPWPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-2-4-14(5-3-13)10(16)7-8-6-9(15)12-11(8)17/h6,12,15,17H,2-5,7H2,1H3.
What are the key properties of 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 239.27 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 90789362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).