1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione

C10H17N3O4 — CID 67646154

IUPAC1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione
SMILESNCCOCCOCC(N)N1C(=O)C=CC1=O
InChIInChI=1S/C10H17N3O4/c11-3-4-16-5-6-17-7-8(12)13-9(14)1-2-10(13)15/h1-2,8H,3-7,11-12H2
InChIKeyIKIJRKCOPHHXRW-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.81
Rot. Bonds8

About 1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione

1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 67646154) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID67646154
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione
SMILESNCCOCCOCC(N)N1C(=O)C=CC1=O
InChIInChI=1S/C10H17N3O4/c11-3-4-16-5-6-17-7-8(12)13-9(14)1-2-10(13)15/h1-2,8H,3-7,11-12H2
InChIKeyIKIJRKCOPHHXRW-UHFFFAOYSA-N
XLogP-1.81
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione (CID 67646154) is 1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione is NCCOCCOCC(N)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is IKIJRKCOPHHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-3-4-16-5-6-17-7-8(12)13-9(14)1-2-10(13)15/h1-2,8H,3-7,11-12H2.
What are the key properties of 1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione?
1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 243.26 g/mol, XLogP of -1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 67646154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).