1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride

C7H13ClN2 — CID 173280259

IUPAC1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride
SMILESCl.[H]/N=C(\CC)N1C=CCC1
InChIInChI=1S/C7H12N2.ClH/c1-2-7(8)9-5-3-4-6-9;/h3,5,8H,2,4,6H2,1H3;1H/b8-7+;
InChIKeyFKXJFQIWZIQWDV-USRGLUTNSA-N
MW160.65 g/mol
LogP2.01
Rot. Bonds1

About 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride

1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride (PubChem CID 173280259) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride
PubChem CID173280259
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride
SMILESCl.[H]/N=C(\CC)N1C=CCC1
InChIInChI=1S/C7H12N2.ClH/c1-2-7(8)9-5-3-4-6-9;/h3,5,8H,2,4,6H2,1H3;1H/b8-7+;
InChIKeyFKXJFQIWZIQWDV-USRGLUTNSA-N
XLogP2.01
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride?
The IUPAC name of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride (CID 173280259) is 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride is Cl.[H]/N=C(\CC)N1C=CCC1.
What is the InChIKey of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride?
The InChIKey is FKXJFQIWZIQWDV-USRGLUTNSA-N. The full InChI is InChI=1S/C7H12N2.ClH/c1-2-7(8)9-5-3-4-6-9;/h3,5,8H,2,4,6H2,1H3;1H/b8-7+;.
What are the key properties of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride?
1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride has a molecular weight of 160.65 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrol-1-yl)propan-1-imine;hydrochloride is sourced from PubChem (CID 173280259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).