3,4-dihydro-2H-pyrrole;hydrochloride

C4H8ClN — CID 20509730

IUPAC3,4-dihydro-2H-pyrrole;hydrochloride
SMILESC1=NCCC1.Cl
InChIInChI=1S/C4H7N.ClH/c1-2-4-5-3-1;/h3H,1-2,4H2;1H
InChIKeyFQHKVJXHFTZBOU-UHFFFAOYSA-N
MW105.57 g/mol
LogP1.27
Rot. Bonds

About 3,4-dihydro-2H-pyrrole;hydrochloride

3,4-dihydro-2H-pyrrole;hydrochloride (PubChem CID 20509730) has the molecular formula C4H8ClN and a molecular weight of 105.57 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole;hydrochloride
PubChem CID20509730
Molecular FormulaC4H8ClN
Molecular Weight105.57 g/mol
Exact Mass105.03
IUPAC Name3,4-dihydro-2H-pyrrole;hydrochloride
SMILESC1=NCCC1.Cl
InChIInChI=1S/C4H7N.ClH/c1-2-4-5-3-1;/h3H,1-2,4H2;1H
InChIKeyFQHKVJXHFTZBOU-UHFFFAOYSA-N
XLogP1.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.57
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrole;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-pyrrole;hydrochloride (CID 20509730) is 3,4-dihydro-2H-pyrrole;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-pyrrole;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-pyrrole;hydrochloride is C1=NCCC1.Cl.
What is the InChIKey of 3,4-dihydro-2H-pyrrole;hydrochloride?
The InChIKey is FQHKVJXHFTZBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.ClH/c1-2-4-5-3-1;/h3H,1-2,4H2;1H.
What are the key properties of 3,4-dihydro-2H-pyrrole;hydrochloride?
3,4-dihydro-2H-pyrrole;hydrochloride has a molecular weight of 105.57 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrole;hydrochloride is sourced from PubChem (CID 20509730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).