3-(2-methylcyclohexyl)pyrrole-2,5-dione

C11H15NO2 — CID 67832248

IUPAC3-(2-methylcyclohexyl)pyrrole-2,5-dione
SMILESCC1CCCCC1C1=CC(=O)NC1=O
InChIInChI=1S/C11H15NO2/c1-7-4-2-3-5-8(7)9-6-10(13)12-11(9)14/h6-8H,2-5H2,1H3,(H,12,13,14)
InChIKeyPAPNVKNEQWGBIE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.40
Rot. Bonds1

About 3-(2-methylcyclohexyl)pyrrole-2,5-dione

3-(2-methylcyclohexyl)pyrrole-2,5-dione (PubChem CID 67832248) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(2-methylcyclohexyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methylcyclohexyl)pyrrole-2,5-dione
PubChem CID67832248
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(2-methylcyclohexyl)pyrrole-2,5-dione
SMILESCC1CCCCC1C1=CC(=O)NC1=O
InChIInChI=1S/C11H15NO2/c1-7-4-2-3-5-8(7)9-6-10(13)12-11(9)14/h6-8H,2-5H2,1H3,(H,12,13,14)
InChIKeyPAPNVKNEQWGBIE-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-adamantyl)pyrrole-2,5-dione
CID 174991493
(1S,3aZ,13aS)-1-methyl-1,2,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3-one
CID 98162399
3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
CID 140561006
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
2-[(1S,2S)-2-methylcyclohexyl]aniline
CID 124577862
7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one
CID 135435192
1-methyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene-9,10-dione
CID 69029801
5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol
CID 124645673
(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235573
(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235574
ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone
CID 54374434
1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene
CID 161276937

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclohexyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-methylcyclohexyl)pyrrole-2,5-dione (CID 67832248) is 3-(2-methylcyclohexyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methylcyclohexyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-methylcyclohexyl)pyrrole-2,5-dione is CC1CCCCC1C1=CC(=O)NC1=O.
What is the InChIKey of 3-(2-methylcyclohexyl)pyrrole-2,5-dione?
The InChIKey is PAPNVKNEQWGBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-2-3-5-8(7)9-6-10(13)12-11(9)14/h6-8H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 3-(2-methylcyclohexyl)pyrrole-2,5-dione?
3-(2-methylcyclohexyl)pyrrole-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclohexyl)pyrrole-2,5-dione is sourced from PubChem (CID 67832248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).