N,N'-bis[(E)-but-2-enoyl]oxamide

C10H12N2O4 — CID 22157614

IUPACN,N'-bis[(E)-but-2-enoyl]oxamide
SMILESC/C=C/C(=O)NC(=O)C(=O)NC(=O)/C=C/C
InChIInChI=1S/C10H12N2O4/c1-3-5-7(13)11-9(15)10(16)12-8(14)6-4-2/h3-6H,1-2H3,(H,11,13,15)(H,12,14,16)/b5-3+,6-4+
InChIKeyLZXBKJXIPRKTEF-GGWOSOGESA-N
MW224.22 g/mol
LogP-0.58
Rot. Bonds2

About N,N'-bis[(E)-but-2-enoyl]oxamide

N,N'-bis[(E)-but-2-enoyl]oxamide (PubChem CID 22157614) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N,N'-bis[(E)-but-2-enoyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-but-2-enoyl]oxamide
PubChem CID22157614
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN,N'-bis[(E)-but-2-enoyl]oxamide
SMILESC/C=C/C(=O)NC(=O)C(=O)NC(=O)/C=C/C
InChIInChI=1S/C10H12N2O4/c1-3-5-7(13)11-9(15)10(16)12-8(14)6-4-2/h3-6H,1-2H3,(H,11,13,15)(H,12,14,16)/b5-3+,6-4+
InChIKeyLZXBKJXIPRKTEF-GGWOSOGESA-N
XLogP-0.58
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(Z)-but-2-en-2-yl]but-2-enamide
CID 130459282
methyl N-[(E)-but-2-enoyl]carbamate
CID 16719385
N-but-2-enoylaziridine-1-carboxamide
CID 175035959
ethenyl N-but-2-enoylcarbamate
CID 174187546
N-(trihydroxymethyl)but-2-enamide
CID 154354345
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
(Z)-N-ethenylbut-2-enamide
CID 121258309
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
hepta-2,5-dien-4-one
CID 54179619
(E)-N-[(2R)-butan-2-yl]but-2-enamide
CID 55299648
N-(2,4,4-trimethylpentan-2-yl)but-2-enamide
CID 112725240
(E)-N-(3,3-dimethylbutyl)but-2-enamide
CID 115580737

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-but-2-enoyl]oxamide?
The IUPAC name of N,N'-bis[(E)-but-2-enoyl]oxamide (CID 22157614) is N,N'-bis[(E)-but-2-enoyl]oxamide.
What is the SMILES notation for N,N'-bis[(E)-but-2-enoyl]oxamide?
The canonical SMILES for N,N'-bis[(E)-but-2-enoyl]oxamide is C/C=C/C(=O)NC(=O)C(=O)NC(=O)/C=C/C.
What is the InChIKey of N,N'-bis[(E)-but-2-enoyl]oxamide?
The InChIKey is LZXBKJXIPRKTEF-GGWOSOGESA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-5-7(13)11-9(15)10(16)12-8(14)6-4-2/h3-6H,1-2H3,(H,11,13,15)(H,12,14,16)/b5-3+,6-4+.
What are the key properties of N,N'-bis[(E)-but-2-enoyl]oxamide?
N,N'-bis[(E)-but-2-enoyl]oxamide has a molecular weight of 224.22 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-but-2-enoyl]oxamide is sourced from PubChem (CID 22157614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).