1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione

C15H18N2O4 — CID 573531

IUPAC1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O4/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21/h6-9H,1-5,10-11H2
InChIKeyBURPWGASPJJGEM-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.79
Rot. Bonds8

About 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione

1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione (PubChem CID 573531) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione
PubChem CID573531
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O4/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21/h6-9H,1-5,10-11H2
InChIKeyBURPWGASPJJGEM-UHFFFAOYSA-N
XLogP0.79
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

CID 20992
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CID 239576
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CID 512829
CID 512829
CID 512831
CID 512831
CID 4526314
CID 4526314
CID 464134
CID 464134
CID 512830
CID 512830
CID 87191
CID 87191
CID 87118
CID 87118
CID 4168664
CID 4168664
CID 239575
CID 239575

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione?
The IUPAC name of 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione (CID 573531) is 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione?
The InChIKey is BURPWGASPJJGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21/h6-9H,1-5,10-11H2.
What are the key properties of 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione?
1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione has a molecular weight of 290.32 g/mol, XLogP of 0.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione is sourced from PubChem (CID 573531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).