2,3-dihydro-1H-pyrrole-5-carboxylic acid

C5H7NO2 — CID 19068022

IUPAC2,3-dihydro-1H-pyrrole-5-carboxylic acid
SMILESO=C(O)C1=CCCN1
InChIInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h2,6H,1,3H2,(H,7,8)
InChIKeyCELGZUZZTJEZAF-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.05
Rot. Bonds1

About 2,3-dihydro-1H-pyrrole-5-carboxylic acid

2,3-dihydro-1H-pyrrole-5-carboxylic acid (PubChem CID 19068022) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrole-5-carboxylic acid
PubChem CID19068022
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name2,3-dihydro-1H-pyrrole-5-carboxylic acid
SMILESO=C(O)C1=CCCN1
InChIInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h2,6H,1,3H2,(H,7,8)
InChIKeyCELGZUZZTJEZAF-UHFFFAOYSA-N
XLogP-0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrole-5-carboxylic acid?
The IUPAC name of 2,3-dihydro-1H-pyrrole-5-carboxylic acid (CID 19068022) is 2,3-dihydro-1H-pyrrole-5-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1H-pyrrole-5-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1H-pyrrole-5-carboxylic acid is O=C(O)C1=CCCN1.
What is the InChIKey of 2,3-dihydro-1H-pyrrole-5-carboxylic acid?
The InChIKey is CELGZUZZTJEZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h2,6H,1,3H2,(H,7,8).
What are the key properties of 2,3-dihydro-1H-pyrrole-5-carboxylic acid?
2,3-dihydro-1H-pyrrole-5-carboxylic acid has a molecular weight of 113.12 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrole-5-carboxylic acid is sourced from PubChem (CID 19068022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).