1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione

C14H16N2O4 — CID 19883770

IUPAC1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione
SMILESCCC(CCCN1C(=O)C=CC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O4/c1-2-10(16-13(19)7-8-14(16)20)4-3-9-15-11(17)5-6-12(15)18/h5-8,10H,2-4,9H2,1H3
InChIKeyRGGDHZIBZWXBAX-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.40
Rot. Bonds6

About 1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione

1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione (PubChem CID 19883770) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione
PubChem CID19883770
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione
SMILESCCC(CCCN1C(=O)C=CC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O4/c1-2-10(16-13(19)7-8-14(16)20)4-3-9-15-11(17)5-6-12(15)18/h5-8,10H,2-4,9H2,1H3
InChIKeyRGGDHZIBZWXBAX-UHFFFAOYSA-N
XLogP0.40
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrrole-2,5-dione, 1-cyclohexyl-
CID 74203
1,6-Bismaleimidohexane
CID 20992
1,4-Bis(maleimido)butane
CID 239576
Mls002608660
CID 239578
Octyl Maleimide
CID 512829
N-Nonylmaleimide
CID 512831
1-Hexylpyrrole-2,5-dione
CID 464134
N-decyl maleimide
CID 512830
1H-Pyrrole-2,5-dione, 1-dodecyl-
CID 87191
1-pentyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 4168664
1-Cyclododecyl-1h-pyrrole-2,5-dione
CID 282944
1,1'-(Dodecane-1,12-diyl)bis-1H-pyrrole-2,5-dione
CID 119659

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione (CID 19883770) is 1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione is CCC(CCCN1C(=O)C=CC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione?
The InChIKey is RGGDHZIBZWXBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-10(16-13(19)7-8-14(16)20)4-3-9-15-11(17)5-6-12(15)18/h5-8,10H,2-4,9H2,1H3.
What are the key properties of 1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione?
1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione has a molecular weight of 276.29 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione is sourced from PubChem (CID 19883770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).