3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

C4H9ClN2 — CID 12778905

IUPAC3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCl.NC1=NCCC1
InChIInChI=1S/C4H8N2.ClH/c5-4-2-1-3-6-4;/h1-3H2,(H2,5,6);1H
InChIKeyJEBHLIYFPKISBI-UHFFFAOYSA-N
MW120.58 g/mol
LogP0.56
Rot. Bonds

About 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 12778905) has the molecular formula C4H9ClN2 and a molecular weight of 120.58 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID12778905
Molecular FormulaC4H9ClN2
Molecular Weight120.58 g/mol
Exact Mass120.05
IUPAC Name3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCl.NC1=NCCC1
InChIInChI=1S/C4H8N2.ClH/c5-4-2-1-3-6-4;/h1-3H2,(H2,5,6);1H
InChIKeyJEBHLIYFPKISBI-UHFFFAOYSA-N
XLogP0.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 12778905) is 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is Cl.NC1=NCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is JEBHLIYFPKISBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.ClH/c5-4-2-1-3-6-4;/h1-3H2,(H2,5,6);1H.
What are the key properties of 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 120.58 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 12778905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).