2,5-dihydro-1H-pyrrole;hydrochloride

C4H8ClN — CID 11679809

IUPAC2,5-dihydro-1H-pyrrole;hydrochloride
SMILESC1=CCNC1.Cl
InChIInChI=1S/C4H7N.ClH/c1-2-4-5-3-1;/h1-2,5H,3-4H2;1H
InChIKeyGBGHNSYFGCVGDX-UHFFFAOYSA-N
MW105.57 g/mol
LogP0.57
Rot. Bonds

About 2,5-dihydro-1H-pyrrole;hydrochloride

2,5-dihydro-1H-pyrrole;hydrochloride (PubChem CID 11679809) has the molecular formula C4H8ClN and a molecular weight of 105.57 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrole;hydrochloride.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrole;hydrochloride
PubChem CID11679809
Molecular FormulaC4H8ClN
Molecular Weight105.57 g/mol
Exact Mass105.03
IUPAC Name2,5-dihydro-1H-pyrrole;hydrochloride
SMILESC1=CCNC1.Cl
InChIInChI=1S/C4H7N.ClH/c1-2-4-5-3-1;/h1-2,5H,3-4H2;1H
InChIKeyGBGHNSYFGCVGDX-UHFFFAOYSA-N
XLogP0.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.57
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,5-dihydro-1H-pyrrole;hydrochloride?
The IUPAC name of 2,5-dihydro-1H-pyrrole;hydrochloride (CID 11679809) is 2,5-dihydro-1H-pyrrole;hydrochloride.
What is the SMILES notation for 2,5-dihydro-1H-pyrrole;hydrochloride?
The canonical SMILES for 2,5-dihydro-1H-pyrrole;hydrochloride is C1=CCNC1.Cl.
What is the InChIKey of 2,5-dihydro-1H-pyrrole;hydrochloride?
The InChIKey is GBGHNSYFGCVGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.ClH/c1-2-4-5-3-1;/h1-2,5H,3-4H2;1H.
What are the key properties of 2,5-dihydro-1H-pyrrole;hydrochloride?
2,5-dihydro-1H-pyrrole;hydrochloride has a molecular weight of 105.57 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrole;hydrochloride is sourced from PubChem (CID 11679809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).