2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate

C10H13NO4 — CID 176791434

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-7(2)10(14)15-6-5-11-8(12)3-4-9(11)13/h3-4,7H,5-6H2,1-2H3
InChIKeyNPTBXZFIOIJNPT-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.11
Rot. Bonds4

About 2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate

2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate (PubChem CID 176791434) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate
PubChem CID176791434
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-7(2)10(14)15-6-5-11-8(12)3-4-9(11)13/h3-4,7H,5-6H2,1-2H3
InChIKeyNPTBXZFIOIJNPT-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
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

1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
CID 23385993
2-[3-(2,5-dioxopyrrol-1-yl)propanoyloxy]ethyl 2-bromopropanoate
CID 143162840
2-(2,5-dioxopyrrol-1-yl)ethyl 2,2-dimethylbutanoate
CID 59095461
4-O-[2-(2,5-dioxopyrrol-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 85471453
2-(2,5-dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate
CID 18718362
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
10-(2,5-dioxopyrrol-1-yl)decyl acetate
CID 175460428
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate
CID 122577668
methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
CID 158080299
1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 19880482
6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide
CID 68727226

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate (CID 176791434) is 2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate is CC(C)C(=O)OCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate?
The InChIKey is NPTBXZFIOIJNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(2)10(14)15-6-5-11-8(12)3-4-9(11)13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate?
2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate has a molecular weight of 211.22 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate is sourced from PubChem (CID 176791434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).