4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide

C11H17N3O3 — CID 54913943

IUPAC4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2CC(=O)NC2=O)CC1
InChIInChI=1S/C11H17N3O3/c12-10(16)6-1-3-7(4-2-6)13-8-5-9(15)14-11(8)17/h6-8,13H,1-5H2,(H2,12,16)(H,14,15,17)
InChIKeyUHGNPYGTWQHNTE-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.96
Rot. Bonds3

About 4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide

4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide (PubChem CID 54913943) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide
PubChem CID54913943
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2CC(=O)NC2=O)CC1
InChIInChI=1S/C11H17N3O3/c12-10(16)6-1-3-7(4-2-6)13-8-5-9(15)14-11(8)17/h6-8,13H,1-5H2,(H2,12,16)(H,14,15,17)
InChIKeyUHGNPYGTWQHNTE-UHFFFAOYSA-N
XLogP-0.96
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
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 4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide (CID 54913943) is 4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NC2CC(=O)NC2=O)CC1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is UHGNPYGTWQHNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-10(16)6-1-3-7(4-2-6)13-8-5-9(15)14-11(8)17/h6-8,13H,1-5H2,(H2,12,16)(H,14,15,17).
What are the key properties of 4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide?
4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-3-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 54913943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).