1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione

C10H11NO3 — CID 16762249

IUPAC1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CN2C(=O)CCC2=O)o1
InChIInChI=1S/C10H11NO3/c1-7-2-3-8(14-7)6-11-9(12)4-5-10(11)13/h2-3H,4-6H2,1H3
InChIKeyQFWMVZTVAUAIQZ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.24
Rot. Bonds2

About 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione

1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 16762249) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID16762249
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CN2C(=O)CCC2=O)o1
InChIInChI=1S/C10H11NO3/c1-7-2-3-8(14-7)6-11-9(12)4-5-10(11)13/h2-3H,4-6H2,1H3
InChIKeyQFWMVZTVAUAIQZ-UHFFFAOYSA-N
XLogP1.24
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.24
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 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione (CID 16762249) is 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione is Cc1ccc(CN2C(=O)CCC2=O)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is QFWMVZTVAUAIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7-2-3-8(14-7)6-11-9(12)4-5-10(11)13/h2-3H,4-6H2,1H3.
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione?
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 193.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 16762249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).