2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione

C10H11NO2 — CID 15835598

IUPAC2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione
SMILESC=CCN1CC2CC(=O)C=C2C1=O
InChIInChI=1S/C10H11NO2/c1-2-3-11-6-7-4-8(12)5-9(7)10(11)13/h2,5,7H,1,3-4,6H2
InChIKeyXUPLXHDCVHQSSN-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.53
Rot. Bonds2

About 2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione

2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione (PubChem CID 15835598) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione.

Molecular Properties

Compound Name2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione
PubChem CID15835598
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione
SMILESC=CCN1CC2CC(=O)C=C2C1=O
InChIInChI=1S/C10H11NO2/c1-2-3-11-6-7-4-8(12)5-9(7)10(11)13/h2,5,7H,1,3-4,6H2
InChIKeyXUPLXHDCVHQSSN-UHFFFAOYSA-N
XLogP0.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione?
The IUPAC name of 2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione (CID 15835598) is 2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione.
What is the SMILES notation for 2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione?
The canonical SMILES for 2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione is C=CCN1CC2CC(=O)C=C2C1=O.
What is the InChIKey of 2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione?
The InChIKey is XUPLXHDCVHQSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-3-11-6-7-4-8(12)5-9(7)10(11)13/h2,5,7H,1,3-4,6H2.
What are the key properties of 2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione?
2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione has a molecular weight of 177.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-6,6a-dihydro-1H-cyclopenta[c]pyrrole-3,5-dione is sourced from PubChem (CID 15835598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).