(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one

C39H57N5O9 — CID 160551984

IUPAC(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCC1.C=C(C)C(=O)N1CCCC1=O.C=C(C)C(=O)N1CCCCC1.C=CC(=O)N1CCCC1.C=CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H15NO.C8H11NO2.C8H13NO.C7H7NO4.C7H11NO/c1-8(2)9(11)10-6-4-3-5-7-10;1-6(2)8(11)9-5-3-4-7(9)10;1-7(2)8(10)9-5-3-4-6-9;1-2-7(11)12-8-5(9)3-4-6(8)10;1-2-7(9)8-5-3-4-6-8/h1,3-7H2,2H3;1,3-5H2,2H3;1,3-6H2,2H3;2H,1,3-4H2;2H,1,3-6H2
InChIKeyQYESNPOXZWBJBX-UHFFFAOYSA-N
MW739.91 g/mol
LogP4.05
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one

(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one (PubChem CID 160551984) has the molecular formula C39H57N5O9 and a molecular weight of 739.91 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one
PubChem CID160551984
Molecular FormulaC39H57N5O9
Molecular Weight739.91 g/mol
Exact Mass739.42
IUPAC Name(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCC1.C=C(C)C(=O)N1CCCC1=O.C=C(C)C(=O)N1CCCCC1.C=CC(=O)N1CCCC1.C=CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H15NO.C8H11NO2.C8H13NO.C7H7NO4.C7H11NO/c1-8(2)9(11)10-6-4-3-5-7-10;1-6(2)8(11)9-5-3-4-7(9)10;1-7(2)8(10)9-5-3-4-6-9;1-2-7(11)12-8-5(9)3-4-6(8)10;1-2-7(9)8-5-3-4-6-8/h1,3-7H2,2H3;1,3-5H2,2H3;1,3-6H2,2H3;2H,1,3-4H2;2H,1,3-6H2
InChIKeyQYESNPOXZWBJBX-UHFFFAOYSA-N
XLogP4.05
TPSA161.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500739.91
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one with MolForge

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Related Compounds

1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
CID 174926925
1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide
CID 70414233
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one
CID 70520596
1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide
CID 70414957
1-acetylazonan-2-one
CID 19035113
(2,5-dioxopyrrolidin-1-yl) [(3S)-1-prop-2-enoylpyrrolidin-3-yl] carbonate
CID 142596293
1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one
CID 130117794
1-acetylazepan-2-one;methane
CID 158348937
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 174310290

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one (CID 160551984) is (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one is C=C(C)C(=O)N1CCCC1.C=C(C)C(=O)N1CCCC1=O.C=C(C)C(=O)N1CCCCC1.C=CC(=O)N1CCCC1.C=CC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is QYESNPOXZWBJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C8H11NO2.C8H13NO.C7H7NO4.C7H11NO/c1-8(2)9(11)10-6-4-3-5-7-10;1-6(2)8(11)9-5-3-4-7(9)10;1-7(2)8(10)9-5-3-4-6-9;1-2-7(11)12-8-5(9)3-4-6(8)10;1-2-7(9)8-5-3-4-6-8/h1,3-7H2,2H3;1,3-5H2,2H3;1,3-6H2,2H3;2H,1,3-4H2;2H,1,3-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one?
(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 739.91 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;2-methyl-1-piperidin-1-ylprop-2-en-1-one;1-(2-methylprop-2-enoyl)pyrrolidin-2-one;2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one;1-pyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 160551984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).