methyl 3-hydroxy-1-methylpyrrole-2-carboxylate

C7H9NO3 — CID 54697147

IUPACmethyl 3-hydroxy-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(O)ccn1C
InChIInChI=1S/C7H9NO3/c1-8-4-3-5(9)6(8)7(10)11-2/h3-4,9H,1-2H3
InChIKeyHJHSYAMEFMNNBD-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.52
Rot. Bonds1

About methyl 3-hydroxy-1-methylpyrrole-2-carboxylate

methyl 3-hydroxy-1-methylpyrrole-2-carboxylate (PubChem CID 54697147) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 3-hydroxy-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-1-methylpyrrole-2-carboxylate
PubChem CID54697147
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 3-hydroxy-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(O)ccn1C
InChIInChI=1S/C7H9NO3/c1-8-4-3-5(9)6(8)7(10)11-2/h3-4,9H,1-2H3
InChIKeyHJHSYAMEFMNNBD-UHFFFAOYSA-N
XLogP0.52
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-1-methylpyrrole-2-carboxylate (CID 54697147) is methyl 3-hydroxy-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-1-methylpyrrole-2-carboxylate is COC(=O)c1c(O)ccn1C.
What is the InChIKey of methyl 3-hydroxy-1-methylpyrrole-2-carboxylate?
The InChIKey is HJHSYAMEFMNNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-8-4-3-5(9)6(8)7(10)11-2/h3-4,9H,1-2H3.
What are the key properties of methyl 3-hydroxy-1-methylpyrrole-2-carboxylate?
methyl 3-hydroxy-1-methylpyrrole-2-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 54697147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).