3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione

C13H22N2O2 — CID 43636059

IUPAC3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NC2CCCCC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-9(2)15-12(16)8-11(13(15)17)14-10-6-4-3-5-7-10/h9-11,14H,3-8H2,1-2H3
InChIKeyXGLPGGFRVBIKND-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.44
Rot. Bonds3

About 3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione

3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43636059) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43636059
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NC2CCCCC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-9(2)15-12(16)8-11(13(15)17)14-10-6-4-3-5-7-10/h9-11,14H,3-8H2,1-2H3
InChIKeyXGLPGGFRVBIKND-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.44
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-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 71852782
3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 114545472
3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 83036032
3-(cyclooctylamino)-1-propylpyrrolidine-2,5-dione
CID 43636456
3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 114240872
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716
1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
CID 43636535
1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione
CID 79100069
1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 61473329
3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 63822409
1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 75495709
3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 71970963

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione (CID 43636059) is 3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(NC2CCCCC2)C1=O.
What is the InChIKey of 3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is XGLPGGFRVBIKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)15-12(16)8-11(13(15)17)14-10-6-4-3-5-7-10/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).