1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride

C9H15ClN2O2 — CID 23354886

IUPAC1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.NCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2.ClH/c10-6-2-1-3-7-11-8(12)4-5-9(11)13;/h4-5H,1-3,6-7,10H2;1H
InChIKeyZKRSYXWTVSTKLW-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.46
Rot. Bonds5

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

1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride (PubChem CID 23354886) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride
PubChem CID23354886
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.NCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2.ClH/c10-6-2-1-3-7-11-8(12)4-5-9(11)13;/h4-5H,1-3,6-7,10H2;1H
InChIKeyZKRSYXWTVSTKLW-UHFFFAOYSA-N
XLogP0.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride (CID 23354886) is 1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride is Cl.NCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride?
The InChIKey is ZKRSYXWTVSTKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.ClH/c10-6-2-1-3-7-11-8(12)4-5-9(11)13;/h4-5H,1-3,6-7,10H2;1H.
What are the key properties of 1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride?
1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentyl)pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 23354886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).