5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

C14H19NO3 — CID 121402947

IUPAC5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
SMILESC=CC1OC(C=C)C2C(=O)N(CCCC)C(=O)C12
InChIInChI=1S/C14H19NO3/c1-4-7-8-15-13(16)11-9(5-2)18-10(6-3)12(11)14(15)17/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyLWXGRVIPTCFYJL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.53
Rot. Bonds5

About 5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione (PubChem CID 121402947) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
PubChem CID121402947
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
SMILESC=CC1OC(C=C)C2C(=O)N(CCCC)C(=O)C12
InChIInChI=1S/C14H19NO3/c1-4-7-8-15-13(16)11-9(5-2)18-10(6-3)12(11)14(15)17/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyLWXGRVIPTCFYJL-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione (CID 121402947) is 5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione is C=CC1OC(C=C)C2C(=O)N(CCCC)C(=O)C12.
What is the InChIKey of 5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The InChIKey is LWXGRVIPTCFYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-7-8-15-13(16)11-9(5-2)18-10(6-3)12(11)14(15)17/h5-6,9-12H,2-4,7-8H2,1H3.
What are the key properties of 5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione has a molecular weight of 249.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 121402947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).