methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate

C8H11NO3 — CID 83827100

IUPACmethyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1CCO
InChIInChI=1S/C8H11NO3/c1-12-8(11)7-3-2-4-9(7)5-6-10/h2-4,10H,5-6H2,1H3
InChIKeyHQUQUOPXNZCCCW-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.27
Rot. Bonds3

About methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate

methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate (PubChem CID 83827100) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate
PubChem CID83827100
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1CCO
InChIInChI=1S/C8H11NO3/c1-12-8(11)7-3-2-4-9(7)5-6-10/h2-4,10H,5-6H2,1H3
InChIKeyHQUQUOPXNZCCCW-UHFFFAOYSA-N
XLogP0.27
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-pyridin-4-ylethyl)pyrrole-2-carboxylate
CID 154695254
methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
CID 169049344
methyl 1-[[2-(bromomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 162744008
methyl 1-non-2-ynylpyrrole-2-carboxylate
CID 20765155
ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
CID 105422074
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
methyl 4-(2-acetylpyrrol-1-yl)butanoate
CID 79106595
methyl 1-(quinolin-4-ylmethyl)pyrrole-2-carboxylate
CID 154695130
methyl 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrole-2-carboxylate
CID 175743110
dimethyl 2-[2-(2-benzoylpyrrol-1-yl)ethyl]propanedioate
CID 19914035
5-(2-ethoxycarbonylpyrrol-1-yl)pentanoic acid
CID 83793284
ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
CID 105422054

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate (CID 83827100) is methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate is COC(=O)c1cccn1CCO.
What is the InChIKey of methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate?
The InChIKey is HQUQUOPXNZCCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-12-8(11)7-3-2-4-9(7)5-6-10/h2-4,10H,5-6H2,1H3.
What are the key properties of methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate?
methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 83827100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).