N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide

C11H16N2O3 — CID 110462006

IUPACN-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide
SMILESO=C1CC(NC(=O)C2CCCCC2)C(=O)N1
InChIInChI=1S/C11H16N2O3/c14-9-6-8(11(16)13-9)12-10(15)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,15)(H,13,14,16)
InChIKeyHWRJZLCASMMLJJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.10
Rot. Bonds2

About N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide

N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide (PubChem CID 110462006) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide
PubChem CID110462006
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide
SMILESO=C1CC(NC(=O)C2CCCCC2)C(=O)N1
InChIInChI=1S/C11H16N2O3/c14-9-6-8(11(16)13-9)12-10(15)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,15)(H,13,14,16)
InChIKeyHWRJZLCASMMLJJ-UHFFFAOYSA-N
XLogP0.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 12550568
N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide
CID 114094437
methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 110459456
N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
CID 110460593
N-[(3R)-2-oxothiolan-3-yl]cyclohexanecarboxamide
CID 40569441
3-(hydroxyamino)pyrrolidine-2,5-dione
CID 22569755
1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide
CID 97192699
(2R)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 104901222
3-(cyclobutylamino)pyrrolidine-2,5-dione
CID 62416523
N-(2,5-dioxopyrrolidin-3-yl)-2-ethylbutanamide
CID 110461449
2-(dimethylamino)-N-(2,5-dioxopyrrolidin-3-yl)acetamide
CID 110479878
N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide
CID 138638906

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide (CID 110462006) is N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide is O=C1CC(NC(=O)C2CCCCC2)C(=O)N1.
What is the InChIKey of N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide?
The InChIKey is HWRJZLCASMMLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-9-6-8(11(16)13-9)12-10(15)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,15)(H,13,14,16).
What are the key properties of N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide?
N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 110462006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).