(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione

C14H18N2O6 — CID 143979128

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione
SMILESCCCC(C)C(=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1
InChIInChI=1S/C10H15NO4.C4H3NO2/c1-3-4-7(2)10(14)15-11-8(12)5-6-9(11)13;6-3-1-2-4(7)5-3/h7H,3-6H2,1-2H3;1-2H,(H,5,6,7)
InChIKeyKMHOPWYUFCTMDY-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.23
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione

(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione (PubChem CID 143979128) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione
PubChem CID143979128
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione
SMILESCCCC(C)C(=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1
InChIInChI=1S/C10H15NO4.C4H3NO2/c1-3-4-7(2)10(14)15-11-8(12)5-6-9(11)13;6-3-1-2-4(7)5-3/h7H,3-6H2,1-2H3;1-2H,(H,5,6,7)
InChIKeyKMHOPWYUFCTMDY-UHFFFAOYSA-N
XLogP0.23
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dioxopyrrolidin-1-yl) acetate;pyrrole-2,5-dione
CID 87683063
(2,5-Dioxopyrrolidin-1-yl) propanoate;pyrrole-2,5-dione
CID 118571190
(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,4-dimethylpentanoate
CID 132027314
(2,5-Dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoyl]amino]-2-methylpentanoate
CID 134467159
(2,5-Dioxopyrrolidin-1-yl) butanoate;pyrrole-2,5-dione
CID 139513214
(2,5-Dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate
CID 147365375
(2,5-Dioxopyrrolidin-1-yl) hexanoate;pyrrole-2,5-dione
CID 175064476

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione (CID 143979128) is (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione is CCCC(C)C(=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione?
The InChIKey is KMHOPWYUFCTMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4.C4H3NO2/c1-3-4-7(2)10(14)15-11-8(12)5-6-9(11)13;6-3-1-2-4(7)5-3/h7H,3-6H2,1-2H3;1-2H,(H,5,6,7).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione?
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione has a molecular weight of 310.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate;pyrrole-2,5-dione is sourced from PubChem (CID 143979128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).