1-(2-cyclohexylethyl)pyrrole-2,5-dione

C12H17NO2 — CID 60920082

IUPAC1-(2-cyclohexylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCC1CCCCC1
InChIInChI=1S/C12H17NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2
InChIKeyTWFPDALGUPGXCE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.88
Rot. Bonds3

About 1-(2-cyclohexylethyl)pyrrole-2,5-dione

1-(2-cyclohexylethyl)pyrrole-2,5-dione (PubChem CID 60920082) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)pyrrole-2,5-dione
PubChem CID60920082
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2-cyclohexylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCC1CCCCC1
InChIInChI=1S/C12H17NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2
InChIKeyTWFPDALGUPGXCE-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octyl Maleimide
CID 512829
N-Nonylmaleimide
CID 512831
N-decyl maleimide
CID 512830
N-cyclohexylmethylmaleimide
CID 18361637
N-menthylmaleimide
CID 129695228
N-(2-decyltetradecyl)-maleimide
CID 129839852
1-[(1,2,2,3,3,4,4,5,5,6,6-Undecafluorocyclohexyl)methyl]pyrrole-2,5-dione
CID 87905786
1-[7-Methyl-6-(trifluoromethyl)octyl]pyrrole-2,5-dione
CID 118669813
1-[(6R)-7-methyl-6-(trifluoromethyl)octyl]pyrrole-2,5-dione
CID 118670020
1-[(6S)-7-methyl-6-(trifluoromethyl)octyl]pyrrole-2,5-dione
CID 130232716
1-[6-(Trifluoromethyl)octyl]pyrrole-2,5-dione
CID 144997498
1-[8-Methyl-6-(trifluoromethyl)nonyl]pyrrole-2,5-dione
CID 144997607

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-cyclohexylethyl)pyrrole-2,5-dione (CID 60920082) is 1-(2-cyclohexylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-cyclohexylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-cyclohexylethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)pyrrole-2,5-dione?
The InChIKey is TWFPDALGUPGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2.
What are the key properties of 1-(2-cyclohexylethyl)pyrrole-2,5-dione?
1-(2-cyclohexylethyl)pyrrole-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 60920082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).