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

C15H22N2O5 — CID 86597983

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C.C=C(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H9NO4.C7H13NO/c1-5(2)8(12)13-9-6(10)3-4-7(9)11;1-5(2)7(9)8-6(3)4/h1,3-4H2,2H3;6H,1H2,2-4H3,(H,8,9)
InChIKeyVUBRPVGVZNXSFD-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.26
Rot. Bonds4

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

(2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide (PubChem CID 86597983) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide
PubChem CID86597983
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C.C=C(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H9NO4.C7H13NO/c1-5(2)8(12)13-9-6(10)3-4-7(9)11;1-5(2)7(9)8-6(3)4/h1,3-4H2,2H3;6H,1H2,2-4H3,(H,8,9)
InChIKeyVUBRPVGVZNXSFD-UHFFFAOYSA-N
XLogP1.26
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.26
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
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CID 19793079
[(2,5-Dioxopyrrolidin-1-yl)-(ethylaminooxycarbonyl)amino] 2-methylprop-2-enoate
CID 88160916
(2,5-Dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)propanoate
CID 88585291
(2,5-Dioxopyrrolidin-1-yl) 4-(2-methylprop-2-enoylamino)butanoate
CID 89095990
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CID 102248477
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
CID 139619228
(2,5-Dioxopyrrolidin-1-yl) 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
CID 140966749
1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide
CID 155125828
1-hydroxypyrrolidine-2,5-dione;N-propan-2-ylprop-2-enamide;bis(prop-2-enoic acid)
CID 173557249

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide (CID 86597983) is (2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide is C=C(C)C(=O)NC(C)C.C=C(C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide?
The InChIKey is VUBRPVGVZNXSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4.C7H13NO/c1-5(2)8(12)13-9-6(10)3-4-7(9)11;1-5(2)7(9)8-6(3)4/h1,3-4H2,2H3;6H,1H2,2-4H3,(H,8,9).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide?
(2,5-dioxopyrrolidin-1-yl) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 1.26, 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) 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 86597983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).