(2,5-dioxopiperidin-1-yl) prop-2-enoate

C8H9NO4 — CID 143635635

IUPAC(2,5-dioxopiperidin-1-yl) prop-2-enoate
SMILESC=CC(=O)ON1CC(=O)CCC1=O
InChIInChI=1S/C8H9NO4/c1-2-8(12)13-9-5-6(10)3-4-7(9)11/h2H,1,3-5H2
InChIKeyOPMAHXTXPKMIRP-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.18
Rot. Bonds2

About (2,5-dioxopiperidin-1-yl) prop-2-enoate

(2,5-dioxopiperidin-1-yl) prop-2-enoate (PubChem CID 143635635) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is (2,5-dioxopiperidin-1-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,5-dioxopiperidin-1-yl) prop-2-enoate
PubChem CID143635635
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name(2,5-dioxopiperidin-1-yl) prop-2-enoate
SMILESC=CC(=O)ON1CC(=O)CCC1=O
InChIInChI=1S/C8H9NO4/c1-2-8(12)13-9-5-6(10)3-4-7(9)11/h2H,1,3-5H2
InChIKeyOPMAHXTXPKMIRP-UHFFFAOYSA-N
XLogP-0.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
CID 174926925
(2,5-dioxopiperidin-1-yl) 4-aminobenzoate
CID 143420894
(2,5-dioxopyrrol-1-yl) prop-2-enoate
CID 87099539
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
azetidin-1-yl prop-2-enoate
CID 23366575
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
(2-oxopyrrolidin-1-yl) but-3-enoate
CID 68874665
(2,5-dioxopyrrolidin-1-yl) 3-[3-(3-prop-2-enoyloxypropoxy)-2,2-bis(3-prop-2-enoyloxypropoxymethyl)propoxy]propanoate
CID 89137179
1-O-acetyl 4-O-(2-oxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 88748317
(2,5-dioxopyrrolidin-1-yl) 3-[2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]methyl]-3-(3-prop-2-enoyloxypropoxy)-2-(3-prop-2-enoyloxypropoxymethyl)propoxy]propanoate;methane
CID 161126880
methyl 2,5-dioxopiperidine-1-carboxylate
CID 58426745
prop-2-enyl 3-oxopyrrolidine-1-carboxylate
CID 15117217

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopiperidin-1-yl) prop-2-enoate?
The IUPAC name of (2,5-dioxopiperidin-1-yl) prop-2-enoate (CID 143635635) is (2,5-dioxopiperidin-1-yl) prop-2-enoate.
What is the SMILES notation for (2,5-dioxopiperidin-1-yl) prop-2-enoate?
The canonical SMILES for (2,5-dioxopiperidin-1-yl) prop-2-enoate is C=CC(=O)ON1CC(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopiperidin-1-yl) prop-2-enoate?
The InChIKey is OPMAHXTXPKMIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-2-8(12)13-9-5-6(10)3-4-7(9)11/h2H,1,3-5H2.
What are the key properties of (2,5-dioxopiperidin-1-yl) prop-2-enoate?
(2,5-dioxopiperidin-1-yl) prop-2-enoate has a molecular weight of 183.16 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopiperidin-1-yl) prop-2-enoate is sourced from PubChem (CID 143635635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).