(2,5-dihydroxypyrrol-1-yl) N-methylcarbamate

C6H8N2O4 — CID 54276480

IUPAC(2,5-dihydroxypyrrol-1-yl) N-methylcarbamate
SMILESCNC(=O)On1c(O)ccc1O
InChIInChI=1S/C6H8N2O4/c1-7-6(11)12-8-4(9)2-3-5(8)10/h2-3,9-10H,1H3,(H,7,11)
InChIKeyRNTNSOJFTYPVFF-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.33
Rot. Bonds1

About (2,5-dihydroxypyrrol-1-yl) N-methylcarbamate

(2,5-dihydroxypyrrol-1-yl) N-methylcarbamate (PubChem CID 54276480) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) N-methylcarbamate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) N-methylcarbamate
PubChem CID54276480
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name(2,5-dihydroxypyrrol-1-yl) N-methylcarbamate
SMILESCNC(=O)On1c(O)ccc1O
InChIInChI=1S/C6H8N2O4/c1-7-6(11)12-8-4(9)2-3-5(8)10/h2-3,9-10H,1H3,(H,7,11)
InChIKeyRNTNSOJFTYPVFF-UHFFFAOYSA-N
XLogP-0.33
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2,5-dihydroxypyrrol-1-yl) N-methylcarbamate 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) N-methylcarbamate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-methylcarbamate (CID 54276480) is (2,5-dihydroxypyrrol-1-yl) N-methylcarbamate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) N-methylcarbamate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) N-methylcarbamate is CNC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) N-methylcarbamate?
The InChIKey is RNTNSOJFTYPVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-7-6(11)12-8-4(9)2-3-5(8)10/h2-3,9-10H,1H3,(H,7,11).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) N-methylcarbamate?
(2,5-dihydroxypyrrol-1-yl) N-methylcarbamate has a molecular weight of 172.14 g/mol, XLogP of -0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) N-methylcarbamate is sourced from PubChem (CID 54276480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).