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

C12H17NO2 — CID 163583484

IUPAC1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione
SMILESCC1CCC(C)(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H17NO2/c1-9-5-7-12(2,8-6-9)13-10(14)3-4-11(13)15/h3-4,9H,5-8H2,1-2H3
InChIKeyGJNOGOXZGRSWFE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.88
Rot. Bonds1

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

1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione (PubChem CID 163583484) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione
PubChem CID163583484
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione
SMILESCC1CCC(C)(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H17NO2/c1-9-5-7-12(2,8-6-9)13-10(14)3-4-11(13)15/h3-4,9H,5-8H2,1-2H3
InChIKeyGJNOGOXZGRSWFE-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 89405333
3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61289943
methane;4-methylcyclohexan-1-one;1,1,4-trimethylcyclohexane
CID 160725349
1-(2,2-dimethylcyclopentyl)pyrrole-2,5-dione
CID 79870484
4-methyl-1-(4-oxo-1-pyridinyl)cyclohexane-1-carboxylic acid
CID 114992103
1-(3-oxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
CID 139917291
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
1-(2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carboxylic acid
CID 61291058
1-(2,3-dioxo-1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
CID 139917308
8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
CID 118986500
4-(4-bromophenyl)-2,8-dimethyl-1-thia-4-azaspiro[4.5]decan-3-one
CID 17385360
3,9-dimethylspiro[5.5]undecane
CID 20825106

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione (CID 163583484) is 1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione is CC1CCC(C)(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione?
The InChIKey is GJNOGOXZGRSWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-7-12(2,8-6-9)13-10(14)3-4-11(13)15/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione?
1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione is sourced from PubChem (CID 163583484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).