(2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate

C19H30N2O5 — CID 88624391

IUPAC(2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate
SMILESC=CC(=O)NCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H30N2O5/c1-2-16(22)20-15-11-9-7-5-3-4-6-8-10-12-19(25)26-21-17(23)13-14-18(21)24/h2H,1,3-15H2,(H,20,22)
InChIKeyBWFFLPQEZSIMQP-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.80
Rot. Bonds14

About (2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate

(2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate (PubChem CID 88624391) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate
PubChem CID88624391
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate
SMILESC=CC(=O)NCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H30N2O5/c1-2-16(22)20-15-11-9-7-5-3-4-6-8-10-12-19(25)26-21-17(23)13-14-18(21)24/h2H,1,3-15H2,(H,20,22)
InChIKeyBWFFLPQEZSIMQP-UHFFFAOYSA-N
XLogP2.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate with MolForge

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Related Compounds

N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
11-(Maleimido)undecanoic acid N-succinimidyl ester
CID 5091658
N-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)prop-2-enamide
CID 2762590
2,5-dioxopyrrolidin-1-yl 8-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)octanoate
CID 5091657
(2,5-Dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate
CID 9976006
(2,5-Dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate
CID 13421309
(2,5-Dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
CID 18671261
(2,5-Dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate
CID 20779687
2,5-Dioxopyrrolidin-1-yl 7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoate
CID 21646446
(2,5-Dioxopyrrolidin-1-yl) 4-[6-(prop-2-enoylamino)hexanoylamino]butanoate
CID 23290647
6-[N-(6-Maleimidocaproyl)]caproic acid nhs
CID 56650501
(2,5-Dioxopyrrolidin-1-yl) 11-(methylamino)undecanoate
CID 57554228

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate (CID 88624391) is (2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate is C=CC(=O)NCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate?
The InChIKey is BWFFLPQEZSIMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-2-16(22)20-15-11-9-7-5-3-4-6-8-10-12-19(25)26-21-17(23)13-14-18(21)24/h2H,1,3-15H2,(H,20,22).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate?
(2,5-dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate has a molecular weight of 366.46 g/mol, XLogP of 2.80, 14 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) 12-(prop-2-enoylamino)dodecanoate is sourced from PubChem (CID 88624391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).