1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione

C12H15NO4 — CID 11195733

IUPAC1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione
SMILESCC1=C[C@@H](CCCN2C(=O)CCC2=O)OC1=O
InChIInChI=1S/C12H15NO4/c1-8-7-9(17-12(8)16)3-2-6-13-10(14)4-5-11(13)15/h7,9H,2-6H2,1H3/t9-/m1/s1
InChIKeyFMWMCMCUQSWKLB-SECBINFHSA-N
MW237.25 g/mol
LogP0.79
Rot. Bonds4

About 1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione

1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 11195733) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione
PubChem CID11195733
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione
SMILESCC1=C[C@@H](CCCN2C(=O)CCC2=O)OC1=O
InChIInChI=1S/C12H15NO4/c1-8-7-9(17-12(8)16)3-2-6-13-10(14)4-5-11(13)15/h7,9H,2-6H2,1H3/t9-/m1/s1
InChIKeyFMWMCMCUQSWKLB-SECBINFHSA-N
XLogP0.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-7-(2-ethoxy-5-oxopyrrolidin-1-yl)hept-2-enoate
CID 68652455
5-hydroxy-1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
CID 72750965
1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
CID 162402967
Methyl 7-(2-ethoxy-5-oxopyrrolidin-1-yl)hept-2-enoate
CID 68652459
2-(1-Methyl-2,5-dioxopyrrolidin-3-ylidene)ethyl prop-2-enoate
CID 156698628
(E)-5-(2,5-dioxopyrrolidin-1-yl)-3-methoxycarbonylpent-2-enoic acid
CID 171478481
5-hydroxy-1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidin-2-one
CID 11207174
ethyl (2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 11404137
3-[(3R)-3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 15327400
4-(2-Oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate
CID 75381027
Methyl 4-(2,5-dioxopyrrolidin-1-yl)-2-ethylbut-2-enoate
CID 77101271
[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate
CID 97226820

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione (CID 11195733) is 1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione is CC1=C[C@@H](CCCN2C(=O)CCC2=O)OC1=O.
What is the InChIKey of 1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is FMWMCMCUQSWKLB-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-7-9(17-12(8)16)3-2-6-13-10(14)4-5-11(13)15/h7,9H,2-6H2,1H3/t9-/m1/s1.
What are the key properties of 1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione?
1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 237.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11195733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).