(2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate

C15H20N2O6 — CID 118287001

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate
SMILESC/C=C\C(=O)N(C=O)CCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H20N2O6/c1-2-6-12(19)16(11-18)10-5-3-4-7-15(22)23-17-13(20)8-9-14(17)21/h2,6,11H,3-5,7-10H2,1H3/b6-2-
InChIKeyZEOLGQVGIAYZMC-KXFIGUGUSA-N
MW324.33 g/mol
LogP0.72
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate (PubChem CID 118287001) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate
PubChem CID118287001
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate
SMILESC/C=C\C(=O)N(C=O)CCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H20N2O6/c1-2-6-12(19)16(11-18)10-5-3-4-7-15(22)23-17-13(20)8-9-14(17)21/h2,6,11H,3-5,7-10H2,1H3/b6-2-
InChIKeyZEOLGQVGIAYZMC-KXFIGUGUSA-N
XLogP0.72
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate with MolForge

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Related Compounds

N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
11-(Maleimido)undecanoic acid N-succinimidyl ester
CID 5091658
2,5-dioxopyrrolidin-1-yl 8-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)octanoate
CID 5091657
(2,5-Dioxopyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 9796541
(2,5-Dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexaneperoxoate
CID 9949147
(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) 2-(2,5-dioxopyrrol-1-yl)hexanoate
CID 19391139
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-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22603590
[(4-Amino-4-oxobutanoyl)amino] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 24763224
6-[N-(6-Maleimidocaproyl)]caproic acid nhs
CID 56650501

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate (CID 118287001) is (2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate is C/C=C\C(=O)N(C=O)CCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate?
The InChIKey is ZEOLGQVGIAYZMC-KXFIGUGUSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-2-6-12(19)16(11-18)10-5-3-4-7-15(22)23-17-13(20)8-9-14(17)21/h2,6,11H,3-5,7-10H2,1H3/b6-2-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate has a molecular weight of 324.33 g/mol, XLogP of 0.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate is sourced from PubChem (CID 118287001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).