(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide

C13H18N2O5 — CID 131730183

IUPAC(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.C=CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C7H7NO4.C6H11NO/c1-2-7(11)12-8-5(9)3-4-6(8)10;1-4-6(8)7-5(2)3/h2H,1,3-4H2;4-5H,1H2,2-3H3,(H,7,8)
InChIKeyVUQMXABROXOIPH-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.48
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide

(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide (PubChem CID 131730183) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide
PubChem CID131730183
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.C=CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C7H7NO4.C6H11NO/c1-2-7(11)12-8-5(9)3-4-6(8)10;1-4-6(8)7-5(2)3/h2H,1,3-4H2;4-5H,1H2,2-3H3,(H,7,8)
InChIKeyVUQMXABROXOIPH-UHFFFAOYSA-N
XLogP0.48
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

poly(N-isopropylacrylamide-N-n-butylacrylamide-N-acryloxysuccinimide)
CID 3082923
(2,5-Dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
CID 11161120
2,5-Dioxopyrrolidin-1-yl N-acryloyl-beta-alaninate
CID 15576771
2-Propenamide, N-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-
CID 58220535
N-(Methacryloyloxy)succinimide N-isopropylmethacrylamide
CID 86597983
(2,5-Dioxopyrrolidin-1-yl) prop-2-enoate;pyrrolidin-2-one
CID 88198002
2,5-Dioxopyrrolidin-1-yl N-prop-2-enoylalaninate
CID 88585261
(2,5-Dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate
CID 89095990
1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide
CID 155125828
(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;methane
CID 158073829
(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane
CID 158606220
(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 161262417

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide (CID 131730183) is (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide is C=CC(=O)NC(C)C.C=CC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide?
The InChIKey is VUQMXABROXOIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.C6H11NO/c1-2-7(11)12-8-5(9)3-4-6(8)10;1-4-6(8)7-5(2)3/h2H,1,3-4H2;4-5H,1H2,2-3H3,(H,7,8).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide?
(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide has a molecular weight of 282.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 131730183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).