(2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate

C9H14N2O5 — CID 90686650

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate
SMILESCN(C)CCOC(=O)On1c(O)ccc1O
InChIInChI=1S/C9H14N2O5/c1-10(2)5-6-15-9(14)16-11-7(12)3-4-8(11)13/h3-4,12-13H,5-6H2,1-2H3
InChIKeyJSRUQOZFPZNCED-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.03
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate

(2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate (PubChem CID 90686650) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate
PubChem CID90686650
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate
SMILESCN(C)CCOC(=O)On1c(O)ccc1O
InChIInChI=1S/C9H14N2O5/c1-10(2)5-6-15-9(14)16-11-7(12)3-4-8(11)13/h3-4,12-13H,5-6H2,1-2H3
InChIKeyJSRUQOZFPZNCED-UHFFFAOYSA-N
XLogP0.03
TPSA84.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate 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 (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate (CID 90686650) is (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate is CN(C)CCOC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate?
The InChIKey is JSRUQOZFPZNCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-10(2)5-6-15-9(14)16-11-7(12)3-4-8(11)13/h3-4,12-13H,5-6H2,1-2H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate?
(2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate has a molecular weight of 230.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate is sourced from PubChem (CID 90686650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).