1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride

C7H13ClN2O2 — CID 50944229

IUPAC1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride
SMILESCl.NCCCN1C(=O)CCC1=O
InChIInChI=1S/C7H12N2O2.ClH/c8-4-1-5-9-6(10)2-3-7(9)11;/h1-5,8H2;1H
InChIKeyHTDGUIKWOZJYMU-UHFFFAOYSA-N
MW192.65 g/mol
LogP-0.09
Rot. Bonds3

About 1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride

1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride (PubChem CID 50944229) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride
PubChem CID50944229
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride
SMILESCl.NCCCN1C(=O)CCC1=O
InChIInChI=1S/C7H12N2O2.ClH/c8-4-1-5-9-6(10)2-3-7(9)11;/h1-5,8H2;1H
InChIKeyHTDGUIKWOZJYMU-UHFFFAOYSA-N
XLogP-0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride (CID 50944229) is 1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride is Cl.NCCCN1C(=O)CCC1=O.
What is the InChIKey of 1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is HTDGUIKWOZJYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c8-4-1-5-9-6(10)2-3-7(9)11;/h1-5,8H2;1H.
What are the key properties of 1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride?
1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 50944229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).