1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride

C10H17ClN2O2 — CID 23054408

IUPAC1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.NCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O2.ClH/c11-7-3-1-2-4-8-12-9(13)5-6-10(12)14;/h5-6H,1-4,7-8,11H2;1H
InChIKeyYFJKZXZBPNGWKI-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.85
Rot. Bonds6

About 1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride

1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride (PubChem CID 23054408) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride
PubChem CID23054408
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.NCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O2.ClH/c11-7-3-1-2-4-8-12-9(13)5-6-10(12)14;/h5-6H,1-4,7-8,11H2;1H
InChIKeyYFJKZXZBPNGWKI-UHFFFAOYSA-N
XLogP0.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.85
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-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride (CID 23054408) is 1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride is Cl.NCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride?
The InChIKey is YFJKZXZBPNGWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.ClH/c11-7-3-1-2-4-8-12-9(13)5-6-10(12)14;/h5-6H,1-4,7-8,11H2;1H.
What are the key properties of 1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride?
1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminohexyl)pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 23054408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).