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

C7H11ClN2O2 — CID 57383512

IUPAC1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.NCCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H10N2O2.ClH/c8-4-1-5-9-6(10)2-3-7(9)11;/h2-3H,1,4-5,8H2;1H
InChIKeySGVOTZVQRDVUOV-UHFFFAOYSA-N
MW190.63 g/mol
LogP-0.32
Rot. Bonds3

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

1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride (PubChem CID 57383512) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride
PubChem CID57383512
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.NCCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H10N2O2.ClH/c8-4-1-5-9-6(10)2-3-7(9)11;/h2-3H,1,4-5,8H2;1H
InChIKeySGVOTZVQRDVUOV-UHFFFAOYSA-N
XLogP-0.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 5-0.32
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)pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride (CID 57383512) is 1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride is Cl.NCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride?
The InChIKey is SGVOTZVQRDVUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c8-4-1-5-9-6(10)2-3-7(9)11;/h2-3H,1,4-5,8H2;1H.
What are the key properties of 1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride?
1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 57383512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).