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

C11H16N2O2 — CID 174488168

IUPAC1-(cyclohexylmethylamino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NCC1CCCCC1
InChIInChI=1S/C11H16N2O2/c14-10-6-7-11(15)13(10)12-8-9-4-2-1-3-5-9/h6-7,9,12H,1-5,8H2
InChIKeyRVTSBVAYLSONDU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.00
Rot. Bonds3

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

1-(cyclohexylmethylamino)pyrrole-2,5-dione (PubChem CID 174488168) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(cyclohexylmethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(cyclohexylmethylamino)pyrrole-2,5-dione
PubChem CID174488168
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(cyclohexylmethylamino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NCC1CCCCC1
InChIInChI=1S/C11H16N2O2/c14-10-6-7-11(15)13(10)12-8-9-4-2-1-3-5-9/h6-7,9,12H,1-5,8H2
InChIKeyRVTSBVAYLSONDU-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Hexylamino)pyrrole-2,5-dione
CID 68628927
1-[(5-Methylcyclononyl)amino]pyrrole-2,5-dione
CID 134377253
1-(Cyclohexylamino)pyrrole-2,5-dione
CID 153254283
1-(Octylamino)pyrrole-2,5-dione
CID 174680463
1-[[4-(Hydrazinylmethyl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 178841867
2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione
CID 43428552

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(cyclohexylmethylamino)pyrrole-2,5-dione (CID 174488168) is 1-(cyclohexylmethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(cyclohexylmethylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(cyclohexylmethylamino)pyrrole-2,5-dione is O=C1C=CC(=O)N1NCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethylamino)pyrrole-2,5-dione?
The InChIKey is RVTSBVAYLSONDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-6-7-11(15)13(10)12-8-9-4-2-1-3-5-9/h6-7,9,12H,1-5,8H2.
What are the key properties of 1-(cyclohexylmethylamino)pyrrole-2,5-dione?
1-(cyclohexylmethylamino)pyrrole-2,5-dione has a molecular weight of 208.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 174488168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).