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

C14H22N2O2 — CID 132961982

IUPAC1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione
SMILESCCCCN1C(=O)C=C(NC2CCCCC2)C1=O
InChIInChI=1S/C14H22N2O2/c1-2-3-9-16-13(17)10-12(14(16)18)15-11-7-5-4-6-8-11/h10-11,15H,2-9H2,1H3
InChIKeyJANXTASLHLZQGM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.96
Rot. Bonds5

About 1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione

1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione (PubChem CID 132961982) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione
PubChem CID132961982
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione
SMILESCCCCN1C(=O)C=C(NC2CCCCC2)C1=O
InChIInChI=1S/C14H22N2O2/c1-2-3-9-16-13(17)10-12(14(16)18)15-11-7-5-4-6-8-11/h10-11,15H,2-9H2,1H3
InChIKeyJANXTASLHLZQGM-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione?
The IUPAC name of 1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione (CID 132961982) is 1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione is CCCCN1C(=O)C=C(NC2CCCCC2)C1=O.
What is the InChIKey of 1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione?
The InChIKey is JANXTASLHLZQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-9-16-13(17)10-12(14(16)18)15-11-7-5-4-6-8-11/h10-11,15H,2-9H2,1H3.
What are the key properties of 1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione?
1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(cyclohexylamino)pyrrole-2,5-dione is sourced from PubChem (CID 132961982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).