3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione

C14H19ClN2O3 — CID 15006064

IUPAC3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCOCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C14H19ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h10H,1-9H2
InChIKeyOVIJIMRJIBVRLO-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.47
Rot. Bonds2

About 3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione

3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 15006064) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID15006064
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCOCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C14H19ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h10H,1-9H2
InChIKeyOVIJIMRJIBVRLO-UHFFFAOYSA-N
XLogP1.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 645488
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CID 110569785
3,4-dichloro-1-cyclohexylpyrrole-2,5-dione
CID 729254
1-cyclohexyl-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110543928
1-cycloheptyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546790
3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 46138978
N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562792
3-(4-chlorophenyl)-1-cyclohexyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110569779
3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
CID 20795749
3-chloro-1-cyclododecyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584204
1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175065393
4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione (CID 15006064) is 3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione is O=C1C(Cl)=C(N2CCOCC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is OVIJIMRJIBVRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h10H,1-9H2.
What are the key properties of 3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 298.77 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 15006064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).