1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione

C14H18N4O4 — CID 58713521

IUPAC1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione
SMILESNC(CCC(N)CN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C14H18N4O4/c15-9(7-17-11(19)3-4-12(17)20)1-2-10(16)8-18-13(21)5-6-14(18)22/h3-6,9-10H,1-2,7-8,15-16H2
InChIKeyMEUUKSNYXCKOMK-UHFFFAOYSA-N
MW306.32 g/mol
LogP-1.73
Rot. Bonds7

About 1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione

1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione (PubChem CID 58713521) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione
PubChem CID58713521
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione
SMILESNC(CCC(N)CN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C14H18N4O4/c15-9(7-17-11(19)3-4-12(17)20)1-2-10(16)8-18-13(21)5-6-14(18)22/h3-6,9-10H,1-2,7-8,15-16H2
InChIKeyMEUUKSNYXCKOMK-UHFFFAOYSA-N
XLogP-1.73
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione (CID 58713521) is 1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione is NC(CCC(N)CN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione?
The InChIKey is MEUUKSNYXCKOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c15-9(7-17-11(19)3-4-12(17)20)1-2-10(16)8-18-13(21)5-6-14(18)22/h3-6,9-10H,1-2,7-8,15-16H2.
What are the key properties of 1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione?
1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione has a molecular weight of 306.32 g/mol, XLogP of -1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-diamino-6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione is sourced from PubChem (CID 58713521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).