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

C4H11ClN2 — CID 70530754

IUPACazane;3,4-dihydro-2H-pyrrole;hydrochloride
SMILESC1=NCCC1.Cl.N
InChIInChI=1S/C4H7N.ClH.H3N/c1-2-4-5-3-1;;/h3H,1-2,4H2;1H;1H3
InChIKeyCNIBBTHLYWOLMH-UHFFFAOYSA-N
MW122.60 g/mol
LogP1.43
Rot. Bonds

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

azane;3,4-dihydro-2H-pyrrole;hydrochloride (PubChem CID 70530754) has the molecular formula C4H11ClN2 and a molecular weight of 122.60 g/mol. Its IUPAC name is azane;3,4-dihydro-2H-pyrrole;hydrochloride.

Molecular Properties

Compound Nameazane;3,4-dihydro-2H-pyrrole;hydrochloride
PubChem CID70530754
Molecular FormulaC4H11ClN2
Molecular Weight122.60 g/mol
Exact Mass122.06
IUPAC Nameazane;3,4-dihydro-2H-pyrrole;hydrochloride
SMILESC1=NCCC1.Cl.N
InChIInChI=1S/C4H7N.ClH.H3N/c1-2-4-5-3-1;;/h3H,1-2,4H2;1H;1H3
InChIKeyCNIBBTHLYWOLMH-UHFFFAOYSA-N
XLogP1.43
TPSA47.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.60
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azane;3,4-dihydro-2H-pyrrole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydrochloride 3,4-dihydro-2h pyrrole
CID 129777191
3,4-Dihydro-2H-pyrrolehydrochloride
CID 20509730
3,4-dihydro-2H-pyrrole;ethane
CID 90995957
3,4-dihydro-2H-pyrrole;hydroiodide
CID 129796568
3,4-dihydro-2H-pyrrole;hydrate;hydrochloride
CID 140990774
3,4-dihydro-2H-pyrrole;propane
CID 143497105
azane;3,4-dihydro-2H-pyrrole
CID 158536458
CID 160394482
CID 160394482
3,4-dihydro-2H-pyrrole;hydrobromide
CID 172724551
3,4-dihydro-2H-pyrrole;selane
CID 172781345
sodium;3,4-dihydro-2H-pyrrole;hydride
CID 173333300
potassium;3,4-dihydro-2H-pyrrole;hydride
CID 174267937

Frequently Asked Questions

What is the IUPAC name of azane;3,4-dihydro-2H-pyrrole;hydrochloride?
The IUPAC name of azane;3,4-dihydro-2H-pyrrole;hydrochloride (CID 70530754) is azane;3,4-dihydro-2H-pyrrole;hydrochloride.
What is the SMILES notation for azane;3,4-dihydro-2H-pyrrole;hydrochloride?
The canonical SMILES for azane;3,4-dihydro-2H-pyrrole;hydrochloride is C1=NCCC1.Cl.N.
What is the InChIKey of azane;3,4-dihydro-2H-pyrrole;hydrochloride?
The InChIKey is CNIBBTHLYWOLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.ClH.H3N/c1-2-4-5-3-1;;/h3H,1-2,4H2;1H;1H3.
What are the key properties of azane;3,4-dihydro-2H-pyrrole;hydrochloride?
azane;3,4-dihydro-2H-pyrrole;hydrochloride has a molecular weight of 122.60 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,4-dihydro-2H-pyrrole;hydrochloride is sourced from PubChem (CID 70530754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).