4-pyrrol-1-yloxolane-3-carboxylic acid

C9H11NO3 — CID 66238471

IUPAC4-pyrrol-1-yloxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1n1cccc1
InChIInChI=1S/C9H11NO3/c11-9(12)7-5-13-6-8(7)10-3-1-2-4-10/h1-4,7-8H,5-6H2,(H,11,12)
InChIKeyXSYQAHRQXPPVFG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.76
Rot. Bonds2

About 4-pyrrol-1-yloxolane-3-carboxylic acid

4-pyrrol-1-yloxolane-3-carboxylic acid (PubChem CID 66238471) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-pyrrol-1-yloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-pyrrol-1-yloxolane-3-carboxylic acid
PubChem CID66238471
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-pyrrol-1-yloxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1n1cccc1
InChIInChI=1S/C9H11NO3/c11-9(12)7-5-13-6-8(7)10-3-1-2-4-10/h1-4,7-8H,5-6H2,(H,11,12)
InChIKeyXSYQAHRQXPPVFG-UHFFFAOYSA-N
XLogP0.76
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid
CID 2761125
3-(1H-pyrrol-1-yl)butanoic acid
CID 12828793
3-methyl-2-(1H-pyrrol-1-yl)butanoic acid
CID 14555443
methyl (2S)-3-hydroxy-2-pyrrol-1-ylpropanoate
CID 100793867
Tert-butyl 3-hydroxy-3-pyrrol-1-ylbutanoate
CID 14005039
Ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate
CID 14005042
Ethyl 3-hydroxy-3-pyrrol-1-ylbutanoate
CID 134872425
Oxiran-2-yl methyl 3-(1h-pyrrol-1-yl) propanoate
CID 172869387
(3alpha,4beta,5alpha)-4,5-dihydro-(1-pyrrole)-4,5-dimethyl-2(3H)-furan ketone
CID 162997410
Mimetic of Aspartate 4 (MASP4)
CID 4593160
Dimethyl 2-(1H-pyrrol-1-YL)succinate
CID 10774844
2-Carboxymethyl-2-(pyrrol-1-yl)-malonic acid diethyl ester
CID 10802905

Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yloxolane-3-carboxylic acid?
The IUPAC name of 4-pyrrol-1-yloxolane-3-carboxylic acid (CID 66238471) is 4-pyrrol-1-yloxolane-3-carboxylic acid.
What is the SMILES notation for 4-pyrrol-1-yloxolane-3-carboxylic acid?
The canonical SMILES for 4-pyrrol-1-yloxolane-3-carboxylic acid is O=C(O)C1COCC1n1cccc1.
What is the InChIKey of 4-pyrrol-1-yloxolane-3-carboxylic acid?
The InChIKey is XSYQAHRQXPPVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-9(12)7-5-13-6-8(7)10-3-1-2-4-10/h1-4,7-8H,5-6H2,(H,11,12).
What are the key properties of 4-pyrrol-1-yloxolane-3-carboxylic acid?
4-pyrrol-1-yloxolane-3-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yloxolane-3-carboxylic acid is sourced from PubChem (CID 66238471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).