3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione

C20H28N2O4 — CID 19968746

IUPAC3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCCCCCCCCN2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C20H28N2O4/c1-15-13-17(23)21(19(15)25)11-9-7-5-3-4-6-8-10-12-22-18(24)14-16(2)20(22)26/h13-14H,3-12H2,1-2H3
InChIKeySTZGFBMOZVOMGM-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.74
Rot. Bonds11

About 3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione

3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione (PubChem CID 19968746) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione
PubChem CID19968746
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCCCCCCCCN2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C20H28N2O4/c1-15-13-17(23)21(19(15)25)11-9-7-5-3-4-6-8-10-12-22-18(24)14-16(2)20(22)26/h13-14H,3-12H2,1-2H3
InChIKeySTZGFBMOZVOMGM-UHFFFAOYSA-N
XLogP2.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione (CID 19968746) is 3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione is CC1=CC(=O)N(CCCCCCCCCCN2C(=O)C=C(C)C2=O)C1=O.
What is the InChIKey of 3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione?
The InChIKey is STZGFBMOZVOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-13-17(23)21(19(15)25)11-9-7-5-3-4-6-8-10-12-22-18(24)14-16(2)20(22)26/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione?
3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione has a molecular weight of 360.45 g/mol, XLogP of 2.74, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[10-(3-methyl-2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione is sourced from PubChem (CID 19968746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).