[(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate

C10H13NO4 — CID 57328062

IUPAC[(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate
SMILESCC[C@H](COC(C)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-3-8(6-15-7(2)12)11-9(13)4-5-10(11)14/h4-5,8H,3,6H2,1-2H3/t8-/m1/s1
InChIKeyQVCRMQRFLVQEIJ-MRVPVSSYSA-N
MW211.22 g/mol
LogP0.25
Rot. Bonds4

About [(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate

[(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate (PubChem CID 57328062) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is [(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate.

Molecular Properties

Compound Name[(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate
PubChem CID57328062
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name[(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate
SMILESCC[C@H](COC(C)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-3-8(6-15-7(2)12)11-9(13)4-5-10(11)14/h4-5,8H,3,6H2,1-2H3/t8-/m1/s1
InChIKeyQVCRMQRFLVQEIJ-MRVPVSSYSA-N
XLogP0.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate?
The IUPAC name of [(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate (CID 57328062) is [(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate.
What is the SMILES notation for [(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate?
The canonical SMILES for [(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate is CC[C@H](COC(C)=O)N1C(=O)C=CC1=O.
What is the InChIKey of [(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate?
The InChIKey is QVCRMQRFLVQEIJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-8(6-15-7(2)12)11-9(13)4-5-10(11)14/h4-5,8H,3,6H2,1-2H3/t8-/m1/s1.
What are the key properties of [(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate?
[(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate has a molecular weight of 211.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate is sourced from PubChem (CID 57328062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).