3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione

C12H13NO3 — CID 60977281

IUPAC3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)c2ccc(C)o2)C1=O
InChIInChI=1S/C12H13NO3/c1-7-6-11(14)13(12(7)15)9(3)10-5-4-8(2)16-10/h4-6,9H,1-3H3
InChIKeyXVUYPTLATRSPED-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.96
Rot. Bonds2

About 3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione

3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione (PubChem CID 60977281) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione
PubChem CID60977281
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)c2ccc(C)o2)C1=O
InChIInChI=1S/C12H13NO3/c1-7-6-11(14)13(12(7)15)9(3)10-5-4-8(2)16-10/h4-6,9H,1-3H3
InChIKeyXVUYPTLATRSPED-UHFFFAOYSA-N
XLogP1.96
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione (CID 60977281) is 3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione is CC1=CC(=O)N(C(C)c2ccc(C)o2)C1=O.
What is the InChIKey of 3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione?
The InChIKey is XVUYPTLATRSPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-6-11(14)13(12(7)15)9(3)10-5-4-8(2)16-10/h4-6,9H,1-3H3.
What are the key properties of 3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione?
3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 60977281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).