(2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C5H9ClN2O — CID 66879066

IUPAC(2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1C=CCN1
InChIInChI=1S/C5H8N2O.ClH/c6-5(8)4-2-1-3-7-4;/h1-2,4,7H,3H2,(H2,6,8);1H/t4-;/m0./s1
InChIKeyNRDOQMABVJRPFF-WCCKRBBISA-N
MW148.59 g/mol
LogP-0.58
Rot. Bonds1

About (2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

(2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 66879066) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is (2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID66879066
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name(2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1C=CCN1
InChIInChI=1S/C5H8N2O.ClH/c6-5(8)4-2-1-3-7-4;/h1-2,4,7H,3H2,(H2,6,8);1H/t4-;/m0./s1
InChIKeyNRDOQMABVJRPFF-WCCKRBBISA-N
XLogP-0.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 66879066) is (2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is Cl.NC(=O)[C@@H]1C=CCN1.
What is the InChIKey of (2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is NRDOQMABVJRPFF-WCCKRBBISA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c6-5(8)4-2-1-3-7-4;/h1-2,4,7H,3H2,(H2,6,8);1H/t4-;/m0./s1.
What are the key properties of (2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
(2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 66879066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).