2,3-dibromobut-2-enediamide

C4H4Br2N2O2 — CID 54524893

IUPAC2,3-dibromobut-2-enediamide
SMILESNC(=O)C(Br)=C(Br)C(N)=O
InChIInChI=1S/C4H4Br2N2O2/c5-1(3(7)9)2(6)4(8)10/h(H2,7,9)(H2,8,10)
InChIKeyYSLIYDNIVODDQI-UHFFFAOYSA-N
MW271.90 g/mol
LogP-0.04
Rot. Bonds2

About 2,3-dibromobut-2-enediamide

2,3-dibromobut-2-enediamide (PubChem CID 54524893) has the molecular formula C4H4Br2N2O2 and a molecular weight of 271.90 g/mol. Its IUPAC name is 2,3-dibromobut-2-enediamide.

Molecular Properties

Compound Name2,3-dibromobut-2-enediamide
PubChem CID54524893
Molecular FormulaC4H4Br2N2O2
Molecular Weight271.90 g/mol
Exact Mass269.86
IUPAC Name2,3-dibromobut-2-enediamide
SMILESNC(=O)C(Br)=C(Br)C(N)=O
InChIInChI=1S/C4H4Br2N2O2/c5-1(3(7)9)2(6)4(8)10/h(H2,7,9)(H2,8,10)
InChIKeyYSLIYDNIVODDQI-UHFFFAOYSA-N
XLogP-0.04
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.90
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 159010976
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CID 87675783
CID 87675783

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromobut-2-enediamide?
The IUPAC name of 2,3-dibromobut-2-enediamide (CID 54524893) is 2,3-dibromobut-2-enediamide.
What is the SMILES notation for 2,3-dibromobut-2-enediamide?
The canonical SMILES for 2,3-dibromobut-2-enediamide is NC(=O)C(Br)=C(Br)C(N)=O.
What is the InChIKey of 2,3-dibromobut-2-enediamide?
The InChIKey is YSLIYDNIVODDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2N2O2/c5-1(3(7)9)2(6)4(8)10/h(H2,7,9)(H2,8,10).
What are the key properties of 2,3-dibromobut-2-enediamide?
2,3-dibromobut-2-enediamide has a molecular weight of 271.90 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromobut-2-enediamide is sourced from PubChem (CID 54524893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).