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

C5H8ClNO2 — CID 163353787

IUPAC2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CCNC1
InChIInChI=1S/C5H7NO2.ClH/c7-5(8)4-1-2-6-3-4;/h1,6H,2-3H2,(H,7,8);1H
InChIKeyXTZZUWPXVCIZHU-UHFFFAOYSA-N
MW149.58 g/mol
LogP0.02
Rot. Bonds1

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

2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride (PubChem CID 163353787) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride
PubChem CID163353787
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CCNC1
InChIInChI=1S/C5H7NO2.ClH/c7-5(8)4-1-2-6-3-4;/h1,6H,2-3H2,(H,7,8);1H
InChIKeyXTZZUWPXVCIZHU-UHFFFAOYSA-N
XLogP0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride?
The IUPAC name of 2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride (CID 163353787) is 2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1=CCNC1.
What is the InChIKey of 2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride?
The InChIKey is XTZZUWPXVCIZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.ClH/c7-5(8)4-1-2-6-3-4;/h1,6H,2-3H2,(H,7,8);1H.
What are the key properties of 2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride?
2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 163353787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).