3,4-dihydro-2H-pyrrole-3-carboxylic acid

C5H7NO2 — CID 54172108

IUPAC3,4-dihydro-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1CC=NC1
InChIInChI=1S/C5H7NO2/c7-5(8)4-1-2-6-3-4/h2,4H,1,3H2,(H,7,8)
InChIKeyVOESYSNZELDLNT-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.16
Rot. Bonds1

About 3,4-dihydro-2H-pyrrole-3-carboxylic acid

3,4-dihydro-2H-pyrrole-3-carboxylic acid (PubChem CID 54172108) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole-3-carboxylic acid
PubChem CID54172108
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name3,4-dihydro-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1CC=NC1
InChIInChI=1S/C5H7NO2/c7-5(8)4-1-2-6-3-4/h2,4H,1,3H2,(H,7,8)
InChIKeyVOESYSNZELDLNT-UHFFFAOYSA-N
XLogP0.16
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 3,4-dihydro-2H-pyrrole-3-carboxylic acid (CID 54172108) is 3,4-dihydro-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 3,4-dihydro-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 3,4-dihydro-2H-pyrrole-3-carboxylic acid is O=C(O)C1CC=NC1.
What is the InChIKey of 3,4-dihydro-2H-pyrrole-3-carboxylic acid?
The InChIKey is VOESYSNZELDLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-5(8)4-1-2-6-3-4/h2,4H,1,3H2,(H,7,8).
What are the key properties of 3,4-dihydro-2H-pyrrole-3-carboxylic acid?
3,4-dihydro-2H-pyrrole-3-carboxylic acid has a molecular weight of 113.12 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54172108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).