1-(cyclohexen-1-yl)pyrrolidine-2,5-dione

C10H13NO2 — CID 67628585

IUPAC1-(cyclohexen-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1=CCCCC1
InChIInChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h4H,1-3,5-7H2
InChIKeyYCVPKNXPBBNZFH-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.59
Rot. Bonds1

About 1-(cyclohexen-1-yl)pyrrolidine-2,5-dione

1-(cyclohexen-1-yl)pyrrolidine-2,5-dione (PubChem CID 67628585) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)pyrrolidine-2,5-dione
PubChem CID67628585
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(cyclohexen-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1=CCCCC1
InChIInChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h4H,1-3,5-7H2
InChIKeyYCVPKNXPBBNZFH-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(cyclohexen-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(cyclohexen-1-yl)pyrrolidine-2,5-dione (CID 67628585) is 1-(cyclohexen-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(cyclohexen-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(cyclohexen-1-yl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)pyrrolidine-2,5-dione?
The InChIKey is YCVPKNXPBBNZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h4H,1-3,5-7H2.
What are the key properties of 1-(cyclohexen-1-yl)pyrrolidine-2,5-dione?
1-(cyclohexen-1-yl)pyrrolidine-2,5-dione has a molecular weight of 179.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 67628585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).