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

C10H16N2O2 — CID 12550568

IUPAC3-(cyclohexylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCCCC2)C(=O)N1
InChIInChI=1S/C10H16N2O2/c13-9-6-8(10(14)12-9)11-7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyDBHHBVCYMKHDIF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.32
Rot. Bonds2

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

3-(cyclohexylamino)pyrrolidine-2,5-dione (PubChem CID 12550568) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(cyclohexylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(cyclohexylamino)pyrrolidine-2,5-dione
PubChem CID12550568
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(cyclohexylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCCCC2)C(=O)N1
InChIInChI=1S/C10H16N2O2/c13-9-6-8(10(14)12-9)11-7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyDBHHBVCYMKHDIF-UHFFFAOYSA-N
XLogP0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
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 3-(cyclohexylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(cyclohexylamino)pyrrolidine-2,5-dione (CID 12550568) is 3-(cyclohexylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(cyclohexylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(cyclohexylamino)pyrrolidine-2,5-dione is O=C1CC(NC2CCCCC2)C(=O)N1.
What is the InChIKey of 3-(cyclohexylamino)pyrrolidine-2,5-dione?
The InChIKey is DBHHBVCYMKHDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-6-8(10(14)12-9)11-7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,12,13,14).
What are the key properties of 3-(cyclohexylamino)pyrrolidine-2,5-dione?
3-(cyclohexylamino)pyrrolidine-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 12550568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).