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

C9H16Cl2N2O2 — CID 172909654

IUPAC1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
SMILESCl.Cl.NCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2.2ClH/c10-6-2-1-3-7-11-8(12)4-5-9(11)13;;/h4-5H,1-3,6-7,10H2;2*1H
InChIKeyZSULJGUPNSPFBF-UHFFFAOYSA-N
MW255.14 g/mol
LogP0.88
Rot. Bonds5

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

1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride (PubChem CID 172909654) has the molecular formula C9H16Cl2N2O2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride.

Molecular Properties

Compound Name1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
PubChem CID172909654
Molecular FormulaC9H16Cl2N2O2
Molecular Weight255.14 g/mol
Exact Mass254.06
IUPAC Name1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
SMILESCl.Cl.NCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2.2ClH/c10-6-2-1-3-7-11-8(12)4-5-9(11)13;;/h4-5H,1-3,6-7,10H2;2*1H
InChIKeyZSULJGUPNSPFBF-UHFFFAOYSA-N
XLogP0.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 50.88
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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Related Compounds

azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine
CID 70219860
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
CID 58173871
1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate
CID 122407757
1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689
1-(5-iodopentyl)pyrrole-2,5-dione
CID 89213790
1-(13-sulfanyltridecyl)pyrrole-2,5-dione
CID 173127544
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
1-hexadecylpyrrole-2,5-dione
CID 4526314
1-(3-aminopropyl)-5-methylidenepyrrol-2-one
CID 145076519
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride?
The IUPAC name of 1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride (CID 172909654) is 1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride.
What is the SMILES notation for 1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride?
The canonical SMILES for 1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride is Cl.Cl.NCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride?
The InChIKey is ZSULJGUPNSPFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.2ClH/c10-6-2-1-3-7-11-8(12)4-5-9(11)13;;/h4-5H,1-3,6-7,10H2;2*1H.
What are the key properties of 1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride?
1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride has a molecular weight of 255.14 g/mol, XLogP of 0.88, 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;dihydrochloride is sourced from PubChem (CID 172909654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).