1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione

C23H34N2O4 — CID 59342848

IUPAC1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione
SMILESCCCC(CCCN1C(=O)C=CC1=O)CC(CCC)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C23H34N2O4/c1-3-7-18(9-5-15-24-20(26)11-12-21(24)27)17-19(8-4-2)10-6-16-25-22(28)13-14-23(25)29/h11-14,18-19H,3-10,15-17H2,1-2H3
InChIKeyRUHMSXIESIBOHH-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.62
Rot. Bonds14

About 1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione

1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione (PubChem CID 59342848) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione
PubChem CID59342848
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione
SMILESCCCC(CCCN1C(=O)C=CC1=O)CC(CCC)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C23H34N2O4/c1-3-7-18(9-5-15-24-20(26)11-12-21(24)27)17-19(8-4-2)10-6-16-25-22(28)13-14-23(25)29/h11-14,18-19H,3-10,15-17H2,1-2H3
InChIKeyRUHMSXIESIBOHH-UHFFFAOYSA-N
XLogP3.62
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione?
The IUPAC name of 1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione (CID 59342848) is 1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione is CCCC(CCCN1C(=O)C=CC1=O)CC(CCC)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione?
The InChIKey is RUHMSXIESIBOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-3-7-18(9-5-15-24-20(26)11-12-21(24)27)17-19(8-4-2)10-6-16-25-22(28)13-14-23(25)29/h11-14,18-19H,3-10,15-17H2,1-2H3.
What are the key properties of 1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione?
1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione has a molecular weight of 402.54 g/mol, XLogP of 3.62, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2,5-dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione is sourced from PubChem (CID 59342848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).