1-(4-chlorocyclohexyl)pyrrole-2,5-dione

C10H12ClNO2 — CID 22988981

IUPAC1-(4-chlorocyclohexyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCC(Cl)CC1
InChIInChI=1S/C10H12ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h5-8H,1-4H2
InChIKeyUOQPQQSPRXVMNH-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.46
Rot. Bonds1

About 1-(4-chlorocyclohexyl)pyrrole-2,5-dione

1-(4-chlorocyclohexyl)pyrrole-2,5-dione (PubChem CID 22988981) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-(4-chlorocyclohexyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorocyclohexyl)pyrrole-2,5-dione
PubChem CID22988981
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-(4-chlorocyclohexyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCC(Cl)CC1
InChIInChI=1S/C10H12ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h5-8H,1-4H2
InChIKeyUOQPQQSPRXVMNH-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorocyclohexyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-chlorocyclohexyl)pyrrole-2,5-dione (CID 22988981) is 1-(4-chlorocyclohexyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chlorocyclohexyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-chlorocyclohexyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1C1CCC(Cl)CC1.
What is the InChIKey of 1-(4-chlorocyclohexyl)pyrrole-2,5-dione?
The InChIKey is UOQPQQSPRXVMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h5-8H,1-4H2.
What are the key properties of 1-(4-chlorocyclohexyl)pyrrole-2,5-dione?
1-(4-chlorocyclohexyl)pyrrole-2,5-dione has a molecular weight of 213.66 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorocyclohexyl)pyrrole-2,5-dione is sourced from PubChem (CID 22988981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).