4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C12H15NO2 — CID 58350419

IUPAC4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC=CC1CC(C=C)C2C(=O)N(C)C(=O)C12
InChIInChI=1S/C12H15NO2/c1-4-7-6-8(5-2)10-9(7)11(14)13(3)12(10)15/h4-5,7-10H,1-2,6H2,3H3
InChIKeyQKPGMRQIZNLTQD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.23
Rot. Bonds2

About 4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 58350419) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID58350419
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC=CC1CC(C=C)C2C(=O)N(C)C(=O)C12
InChIInChI=1S/C12H15NO2/c1-4-7-6-8(5-2)10-9(7)11(14)13(3)12(10)15/h4-5,7-10H,1-2,6H2,3H3
InChIKeyQKPGMRQIZNLTQD-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 58350419) is 4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is C=CC1CC(C=C)C2C(=O)N(C)C(=O)C12.
What is the InChIKey of 4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is QKPGMRQIZNLTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-7-6-8(5-2)10-9(7)11(14)13(3)12(10)15/h4-5,7-10H,1-2,6H2,3H3.
What are the key properties of 4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 205.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethenyl)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 58350419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).