3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione

C16H20N2O4 — CID 56980322

IUPAC3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione
SMILESCC(CCCCC1=CC(=O)NC1=O)CCC1=CC(=O)NC1=O
InChIInChI=1S/C16H20N2O4/c1-10(6-7-12-9-14(20)18-16(12)22)4-2-3-5-11-8-13(19)17-15(11)21/h8-10H,2-7H2,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyOBPYGJSHBIWWCO-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.13
Rot. Bonds8

About 3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione

3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione (PubChem CID 56980322) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione
PubChem CID56980322
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione
SMILESCC(CCCCC1=CC(=O)NC1=O)CCC1=CC(=O)NC1=O
InChIInChI=1S/C16H20N2O4/c1-10(6-7-12-9-14(20)18-16(12)22)4-2-3-5-11-8-13(19)17-15(11)21/h8-10H,2-7H2,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyOBPYGJSHBIWWCO-UHFFFAOYSA-N
XLogP1.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
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

(-)-Byssochlamic acid bisdiimide
CID 46930231
3-Octadecylpyrrole-2,5-dione
CID 19810759
Cyclohexylmaleimide
CID 19810763
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
Hexamethylene-bis-maleimide
CID 22989081
3-Methyl-4-(5,9,13-trimethyltetradecyl)-1H-pyrrole-2,5-dione
CID 558334
3-Pentadecylpyrrole-2,5-dione
CID 15598201
3-(4-Methylcyclohexyl)pyrrole-2,5-dione
CID 17804159
4-[(2,5-Dioxopyrrol-3-yl)methyl]cyclohexane-1-carboxamide
CID 17845334
3-[9-(2,5-Dioxopyrrol-3-yl)-4,6-diethylnonyl]pyrrole-2,5-dione
CID 17992943
4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide
CID 19025273

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione?
The IUPAC name of 3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione (CID 56980322) is 3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione is CC(CCCCC1=CC(=O)NC1=O)CCC1=CC(=O)NC1=O.
What is the InChIKey of 3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione?
The InChIKey is OBPYGJSHBIWWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(6-7-12-9-14(20)18-16(12)22)4-2-3-5-11-8-13(19)17-15(11)21/h8-10H,2-7H2,1H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione?
3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione has a molecular weight of 304.35 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2,5-dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione is sourced from PubChem (CID 56980322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).