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

C10H14N2O2 — CID 153254283

IUPAC1-(cyclohexylamino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NC1CCCCC1
InChIInChI=1S/C10H14N2O2/c13-9-6-7-10(14)12(9)11-8-4-2-1-3-5-8/h6-8,11H,1-5H2
InChIKeyYRRMTUFYQKMARP-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.75
Rot. Bonds2

About 1-(cyclohexylamino)pyrrole-2,5-dione

1-(cyclohexylamino)pyrrole-2,5-dione (PubChem CID 153254283) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(cyclohexylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(cyclohexylamino)pyrrole-2,5-dione
PubChem CID153254283
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(cyclohexylamino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NC1CCCCC1
InChIInChI=1S/C10H14N2O2/c13-9-6-7-10(14)12(9)11-8-4-2-1-3-5-8/h6-8,11H,1-5H2
InChIKeyYRRMTUFYQKMARP-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylamino)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexylammonium-3,6-pyridazinediolate
CID 6453611
1-[6-[(2,5-Dioxopyrrol-1-yl)amino]hexylamino]pyrrole-2,5-dione
CID 20209697
1-(Butylamino)pyrrole-2,5-dione
CID 23354887
6-amino-N-(2,5-dioxopyrrol-1-yl)hexanamide
CID 53863111
1-(Hexylamino)pyrrole-2,5-dione;hydrochloride
CID 68628926
1-(Hexylamino)pyrrole-2,5-dione
CID 68628927
1-(Cyclodecylamino)pyrrole-2,5-dione
CID 118508197
1-(Cycloundecylamino)pyrrole-2,5-dione
CID 118508326
1-(Cyclononylamino)pyrrole-2,5-dione
CID 126728799
1-(Cyclooctylamino)pyrrole-2,5-dione
CID 134377096
1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one
CID 141154511
1-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-pyrrol-5-one;hydrochloride
CID 141154513

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(cyclohexylamino)pyrrole-2,5-dione (CID 153254283) is 1-(cyclohexylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(cyclohexylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(cyclohexylamino)pyrrole-2,5-dione is O=C1C=CC(=O)N1NC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)pyrrole-2,5-dione?
The InChIKey is YRRMTUFYQKMARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-6-7-10(14)12(9)11-8-4-2-1-3-5-8/h6-8,11H,1-5H2.
What are the key properties of 1-(cyclohexylamino)pyrrole-2,5-dione?
1-(cyclohexylamino)pyrrole-2,5-dione has a molecular weight of 194.23 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)pyrrole-2,5-dione is sourced from PubChem (CID 153254283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).