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

C4H10ClNO — CID 140990774

IUPAC3,4-dihydro-2H-pyrrole;hydrate;hydrochloride
SMILESC1=NCCC1.Cl.O
InChIInChI=1S/C4H7N.ClH.H2O/c1-2-4-5-3-1;;/h3H,1-2,4H2;1H;1H2
InChIKeyBCQUDGLUKIAZMZ-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.45
Rot. Bonds

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

3,4-dihydro-2H-pyrrole;hydrate;hydrochloride (PubChem CID 140990774) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole;hydrate;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole;hydrate;hydrochloride
PubChem CID140990774
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name3,4-dihydro-2H-pyrrole;hydrate;hydrochloride
SMILESC1=NCCC1.Cl.O
InChIInChI=1S/C4H7N.ClH.H2O/c1-2-4-5-3-1;;/h3H,1-2,4H2;1H;1H2
InChIKeyBCQUDGLUKIAZMZ-UHFFFAOYSA-N
XLogP0.45
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4-dihydro-2H-pyrrole;hydrate;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
azane;3,4-dihydro-2H-pyrrole;hydrochloride
CID 70530754
3,4-dihydro-2H-pyrrole;ethane
CID 90995957
1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium
CID 123710276
3,4-dihydro-2H-pyrrole;hydroiodide
CID 129796568
3,4-dihydro-2H-pyrrole;hydrate
CID 141256161
3,4-dihydro-2H-pyrrole;propane
CID 143497105
3,4-dihydro-2H-pyrrole;dihydrate;hydrochloride
CID 145799916
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

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrole;hydrate;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-pyrrole;hydrate;hydrochloride (CID 140990774) is 3,4-dihydro-2H-pyrrole;hydrate;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-pyrrole;hydrate;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-pyrrole;hydrate;hydrochloride is C1=NCCC1.Cl.O.
What is the InChIKey of 3,4-dihydro-2H-pyrrole;hydrate;hydrochloride?
The InChIKey is BCQUDGLUKIAZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.ClH.H2O/c1-2-4-5-3-1;;/h3H,1-2,4H2;1H;1H2.
What are the key properties of 3,4-dihydro-2H-pyrrole;hydrate;hydrochloride?
3,4-dihydro-2H-pyrrole;hydrate;hydrochloride has a molecular weight of 123.58 g/mol, XLogP of 0.45, 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;hydrate;hydrochloride is sourced from PubChem (CID 140990774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).