methyl 3-hydroxy-1H-pyrrole-2-carboxylate

C6H7NO3 — CID 54711834

IUPACmethyl 3-hydroxy-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]ccc1O
InChIInChI=1S/C6H7NO3/c1-10-6(9)5-4(8)2-3-7-5/h2-3,7-8H,1H3
InChIKeyWDPQPKMCONIREA-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.51
Rot. Bonds1

About methyl 3-hydroxy-1H-pyrrole-2-carboxylate

methyl 3-hydroxy-1H-pyrrole-2-carboxylate (PubChem CID 54711834) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is methyl 3-hydroxy-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-1H-pyrrole-2-carboxylate
PubChem CID54711834
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Namemethyl 3-hydroxy-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]ccc1O
InChIInChI=1S/C6H7NO3/c1-10-6(9)5-4(8)2-3-7-5/h2-3,7-8H,1H3
InChIKeyWDPQPKMCONIREA-UHFFFAOYSA-N
XLogP0.51
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-1H-pyrrole-2-carboxylate (CID 54711834) is methyl 3-hydroxy-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]ccc1O.
What is the InChIKey of methyl 3-hydroxy-1H-pyrrole-2-carboxylate?
The InChIKey is WDPQPKMCONIREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-10-6(9)5-4(8)2-3-7-5/h2-3,7-8H,1H3.
What are the key properties of methyl 3-hydroxy-1H-pyrrole-2-carboxylate?
methyl 3-hydroxy-1H-pyrrole-2-carboxylate has a molecular weight of 141.13 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 54711834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).