1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione

C11H20N4O2 — CID 91552481

IUPAC1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione
SMILESNCCNCCNCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H20N4O2/c12-4-6-14-8-7-13-5-1-9-15-10(16)2-3-11(15)17/h2-3,13-14H,1,4-9,12H2
InChIKeyLUVSUUJBMAPVEN-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.56
Rot. Bonds9

About 1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione

1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione (PubChem CID 91552481) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione
PubChem CID91552481
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione
SMILESNCCNCCNCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H20N4O2/c12-4-6-14-8-7-13-5-1-9-15-10(16)2-3-11(15)17/h2-3,13-14H,1,4-9,12H2
InChIKeyLUVSUUJBMAPVEN-UHFFFAOYSA-N
XLogP-1.56
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-(2-aminoethyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 22118207
Ammonium, vinylenebis(carbonylimino)diethylenebis(trimethyl-, diiodide
CID 6434678
1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 57383512
N-(2-Aminoethyl)maleimide
CID 2778791
1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 22377079
N-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 59511121
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide
CID 89428211
N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]carbamoyl fluoride
CID 144854244
2-Propenamide, N,N-bis[2-[(1-oxo-2-propenyl)amino]ethyl]-
CID 9795288
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
CID 9861423
N,n',n'',n'''-tetraacryloyltriethylenetetramine
CID 9863796
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
CID 6434679

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione (CID 91552481) is 1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione is NCCNCCNCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione?
The InChIKey is LUVSUUJBMAPVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-4-6-14-8-7-13-5-1-9-15-10(16)2-3-11(15)17/h2-3,13-14H,1,4-9,12H2.
What are the key properties of 1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione?
1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione has a molecular weight of 240.31 g/mol, XLogP of -1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 91552481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).