3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

C10H13NO3 — CID 129191042

IUPAC3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
SMILESC=CC1OC(C)C2C(=O)N(C)C(=O)C12
InChIInChI=1S/C10H13NO3/c1-4-6-8-7(5(2)14-6)9(12)11(3)10(8)13/h4-8H,1H2,2-3H3
InChIKeyLLRKINWPHPSXEY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.19
Rot. Bonds1

About 3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione (PubChem CID 129191042) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
PubChem CID129191042
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
SMILESC=CC1OC(C)C2C(=O)N(C)C(=O)C12
InChIInChI=1S/C10H13NO3/c1-4-6-8-7(5(2)14-6)9(12)11(3)10(8)13/h4-8H,1H2,2-3H3
InChIKeyLLRKINWPHPSXEY-UHFFFAOYSA-N
XLogP0.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.19
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 3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione (CID 129191042) is 3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione is C=CC1OC(C)C2C(=O)N(C)C(=O)C12.
What is the InChIKey of 3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The InChIKey is LLRKINWPHPSXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-6-8-7(5(2)14-6)9(12)11(3)10(8)13/h4-8H,1H2,2-3H3.
What are the key properties of 3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione has a molecular weight of 195.22 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 129191042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).