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

C21H26N2O4 — CID 4646663

IUPAC1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCC(CC2CCC(N3C(=O)C=CC3=O)CC2)CC1
InChIInChI=1S/C21H26N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h9-12,14-17H,1-8,13H2
InChIKeyLIRFWAADGFIXIJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.34
Rot. Bonds4

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

1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione (PubChem CID 4646663) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione
PubChem CID4646663
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCC(CC2CCC(N3C(=O)C=CC3=O)CC2)CC1
InChIInChI=1S/C21H26N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h9-12,14-17H,1-8,13H2
InChIKeyLIRFWAADGFIXIJ-UHFFFAOYSA-N
XLogP2.34
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.34
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-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione (CID 4646663) is 1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C1CCC(CC2CCC(N3C(=O)C=CC3=O)CC2)CC1.
What is the InChIKey of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione?
The InChIKey is LIRFWAADGFIXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h9-12,14-17H,1-8,13H2.
What are the key properties of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione?
1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione has a molecular weight of 370.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]methyl]cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 4646663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).