1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione

C16H23N3O4 — CID 787756

IUPAC1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CN(CN1C(=O)CCC1=O)C1CCCCC1
InChIInChI=1S/C16H23N3O4/c20-13-6-7-14(21)18(13)10-17(12-4-2-1-3-5-12)11-19-15(22)8-9-16(19)23/h12H,1-11H2
InChIKeyDXXPAOZBVDFJDL-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.83
Rot. Bonds5

About 1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione

1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione (PubChem CID 787756) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione
PubChem CID787756
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CN(CN1C(=O)CCC1=O)C1CCCCC1
InChIInChI=1S/C16H23N3O4/c20-13-6-7-14(21)18(13)10-17(12-4-2-1-3-5-12)11-19-15(22)8-9-16(19)23/h12H,1-11H2
InChIKeyDXXPAOZBVDFJDL-UHFFFAOYSA-N
XLogP0.83
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione (CID 787756) is 1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CN(CN1C(=O)CCC1=O)C1CCCCC1.
What is the InChIKey of 1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione?
The InChIKey is DXXPAOZBVDFJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-13-6-7-14(21)18(13)10-17(12-4-2-1-3-5-12)11-19-15(22)8-9-16(19)23/h12H,1-11H2.
What are the key properties of 1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione?
1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione has a molecular weight of 321.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclohexyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 787756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).