4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate

C11H14BrNO4 — CID 150599315

IUPAC4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCN1C(=O)CC(Br)C1=O
InChIInChI=1S/C11H14BrNO4/c1-2-10(15)17-6-4-3-5-13-9(14)7-8(12)11(13)16/h2,8H,1,3-7H2
InChIKeyIRNDZKVYAWWHOY-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.02
Rot. Bonds6

About 4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate

4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate (PubChem CID 150599315) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate.

Molecular Properties

Compound Name4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate
PubChem CID150599315
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCN1C(=O)CC(Br)C1=O
InChIInChI=1S/C11H14BrNO4/c1-2-10(15)17-6-4-3-5-13-9(14)7-8(12)11(13)16/h2,8H,1,3-7H2
InChIKeyIRNDZKVYAWWHOY-UHFFFAOYSA-N
XLogP1.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate
CID 121375125
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-methoxybutyl prop-2-enoate
CID 22321356
11-hydroxyundecyl prop-2-enoate
CID 54223498
10-hydroxydecyl prop-2-enoate
CID 14715958
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
8-prop-2-enoyloxyoctyl 3-[4-[3-oxo-3-(8-prop-2-enoyloxyoctoxy)propyl]piperazin-1-yl]propanoate
CID 102107249
octyl 2-(1-butyl-2,5-dioxopyrrolidin-3-yl)sulfonylacetate
CID 71389193

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate?
The IUPAC name of 4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate (CID 150599315) is 4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate.
What is the SMILES notation for 4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate?
The canonical SMILES for 4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate is C=CC(=O)OCCCCN1C(=O)CC(Br)C1=O.
What is the InChIKey of 4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate?
The InChIKey is IRNDZKVYAWWHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-2-10(15)17-6-4-3-5-13-9(14)7-8(12)11(13)16/h2,8H,1,3-7H2.
What are the key properties of 4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate?
4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate has a molecular weight of 304.14 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate is sourced from PubChem (CID 150599315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).