3-(cyclohexylamino)pyrrole-2,5-dione

C10H14N2O2 — CID 10035520

IUPAC3-(cyclohexylamino)pyrrole-2,5-dione
SMILESO=C1C=C(NC2CCCCC2)C(=O)N1
InChIInChI=1S/C10H14N2O2/c13-9-6-8(10(14)12-9)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13,14)
InChIKeyLZDJRALKWILJBB-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.45
Rot. Bonds2

About 3-(cyclohexylamino)pyrrole-2,5-dione

3-(cyclohexylamino)pyrrole-2,5-dione (PubChem CID 10035520) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(cyclohexylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(cyclohexylamino)pyrrole-2,5-dione
PubChem CID10035520
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(cyclohexylamino)pyrrole-2,5-dione
SMILESO=C1C=C(NC2CCCCC2)C(=O)N1
InChIInChI=1S/C10H14N2O2/c13-9-6-8(10(14)12-9)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13,14)
InChIKeyLZDJRALKWILJBB-UHFFFAOYSA-N
XLogP0.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.45
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

(2,6-dioxo(1,3-dihydropyrimidin-4-yl))-N-cyclohexylcarboxamide
CID 1084850
1-Cyclohexyl-3-(cyclohexylamino)azoline-2,5-dione
CID 1659427
Propylaminomaleimide
CID 66927264
1-Butyl-3-(cyclohexylamino)pyrrole-2,5-dione
CID 132961982
2-acetamido-N-cyclohexylprop-2-enamide
CID 10632265
3-(Butylamino)-1-methylpyrrole-2,5-dione
CID 4512328
Ethyl 3-(cyclohexylamino)-2,5-dioxopyrrole-1-carboxylate
CID 10084261
3-[(2-Aminocyclohexyl)amino]-1,2-dihydropyrrol-5-one
CID 17859605
3-Piperidin-1-ylpyrrole-2,5-dione
CID 20488518
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one
CID 58765368
2-(Cyclohexylamino)prop-2-enamide
CID 69981136
3-[[(1R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one
CID 89279550

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)pyrrole-2,5-dione?
The IUPAC name of 3-(cyclohexylamino)pyrrole-2,5-dione (CID 10035520) is 3-(cyclohexylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(cyclohexylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-(cyclohexylamino)pyrrole-2,5-dione is O=C1C=C(NC2CCCCC2)C(=O)N1.
What is the InChIKey of 3-(cyclohexylamino)pyrrole-2,5-dione?
The InChIKey is LZDJRALKWILJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-6-8(10(14)12-9)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13,14).
What are the key properties of 3-(cyclohexylamino)pyrrole-2,5-dione?
3-(cyclohexylamino)pyrrole-2,5-dione has a molecular weight of 194.23 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)pyrrole-2,5-dione is sourced from PubChem (CID 10035520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).