(3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate

C11H15NO6 — CID 73205282

IUPAC(3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate
SMILESCC1OC(OC(=O)c2ccc[nH]2)C(O)C(O)C1O
InChIInChI=1S/C11H15NO6/c1-5-7(13)8(14)9(15)11(17-5)18-10(16)6-3-2-4-12-6/h2-5,7-9,11-15H,1H3
InChIKeyNQHXKPPRDVOFFJ-UHFFFAOYSA-N
MW257.24 g/mol
LogP-1.00
Rot. Bonds2

About (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate

(3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate (PubChem CID 73205282) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate
PubChem CID73205282
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name(3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate
SMILESCC1OC(OC(=O)c2ccc[nH]2)C(O)C(O)C1O
InChIInChI=1S/C11H15NO6/c1-5-7(13)8(14)9(15)11(17-5)18-10(16)6-3-2-4-12-6/h2-5,7-9,11-15H,1H3
InChIKeyNQHXKPPRDVOFFJ-UHFFFAOYSA-N
XLogP-1.00
TPSA112.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1H-pyrrole-2-carboxylate
CID 255670
Phallusialide A
CID 155526821
Phallusialide C
CID 155545017
Phallusialide E
CID 155547459
Phallusialide B
CID 155555003
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis(1H-pyrrole-2-carbonyloxy)oxan-2-yl]methyl 1H-pyrrole-2-carboxylate
CID 101414001
[(1R,3R,5S,6R,7S)-6-hydroxy-8-methyl-7-(1H-pyrrole-2-carbonyloxy)-8-azabicyclo[3.2.1]octan-3-yl] 1-methylpyrrole-2-carboxylate
CID 101242736
dimethyl (2S)-2-(1H-pyrrole-2-carbonyloxy)butanedioate
CID 163000909
Endostemonine B
CID 170988245
Endostemonine C
CID 170988246
Endostemonine G
CID 170988250
4-fluoropentyl 1H-pyrrole-2-carboxylate
CID 138725762

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate?
The IUPAC name of (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate (CID 73205282) is (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate.
What is the SMILES notation for (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate?
The canonical SMILES for (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate is CC1OC(OC(=O)c2ccc[nH]2)C(O)C(O)C1O.
What is the InChIKey of (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate?
The InChIKey is NQHXKPPRDVOFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-5-7(13)8(14)9(15)11(17-5)18-10(16)6-3-2-4-12-6/h2-5,7-9,11-15H,1H3.
What are the key properties of (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate?
(3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate has a molecular weight of 257.24 g/mol, XLogP of -1.00, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trihydroxy-6-methyloxan-2-yl) 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 73205282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).