1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione

C13H19NO3 — CID 140609910

IUPAC1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione
SMILESCC(C)OC1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C13H19NO3/c1-9(2)17-11-5-3-10(4-6-11)14-12(15)7-8-13(14)16/h7-11H,3-6H2,1-2H3
InChIKeyGKGMSUCDEYPMQV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.65
Rot. Bonds3

About 1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione

1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione (PubChem CID 140609910) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione
PubChem CID140609910
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione
SMILESCC(C)OC1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C13H19NO3/c1-9(2)17-11-5-3-10(4-6-11)14-12(15)7-8-13(14)16/h7-11H,3-6H2,1-2H3
InChIKeyGKGMSUCDEYPMQV-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione (CID 140609910) is 1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione is CC(C)OC1CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione?
The InChIKey is GKGMSUCDEYPMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)17-11-5-3-10(4-6-11)14-12(15)7-8-13(14)16/h7-11H,3-6H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione?
1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione has a molecular weight of 237.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione is sourced from PubChem (CID 140609910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).