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

C15H21NO3 — CID 58350412

IUPAC4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC=CC1CC(C=C)C2C(=O)N(COCCC)C(=O)C12
InChIInChI=1S/C15H21NO3/c1-4-7-19-9-16-14(17)12-10(5-2)8-11(6-3)13(12)15(16)18/h5-6,10-13H,2-4,7-9H2,1H3
InChIKeyNLJPZVUUOIMVRL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds6

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

4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 58350412) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID58350412
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC=CC1CC(C=C)C2C(=O)N(COCCC)C(=O)C12
InChIInChI=1S/C15H21NO3/c1-4-7-19-9-16-14(17)12-10(5-2)8-11(6-3)13(12)15(16)18/h5-6,10-13H,2-4,7-9H2,1H3
InChIKeyNLJPZVUUOIMVRL-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 58350412) is 4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is C=CC1CC(C=C)C2C(=O)N(COCCC)C(=O)C12.
What is the InChIKey of 4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is NLJPZVUUOIMVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-7-19-9-16-14(17)12-10(5-2)8-11(6-3)13(12)15(16)18/h5-6,10-13H,2-4,7-9H2,1H3.
What are the key properties of 4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 263.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethenyl)-2-(propoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 58350412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).