N,N'-dimethylbut-2-enediamide

C6H10N2O2 — CID 54344026

IUPACN,N'-dimethylbut-2-enediamide
SMILESCNC(=O)C=CC(=O)NC
InChIInChI=1S/C6H10N2O2/c1-7-5(9)3-4-6(10)8-2/h3-4H,1-2H3,(H,7,9)(H,8,10)
InChIKeyUAZWJFZZYAUSSW-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.97
Rot. Bonds2

About N,N'-dimethylbut-2-enediamide

N,N'-dimethylbut-2-enediamide (PubChem CID 54344026) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N,N'-dimethylbut-2-enediamide.

Molecular Properties

Compound NameN,N'-dimethylbut-2-enediamide
PubChem CID54344026
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN,N'-dimethylbut-2-enediamide
SMILESCNC(=O)C=CC(=O)NC
InChIInChI=1S/C6H10N2O2/c1-7-5(9)3-4-6(10)8-2/h3-4H,1-2H3,(H,7,9)(H,8,10)
InChIKeyUAZWJFZZYAUSSW-UHFFFAOYSA-N
XLogP-0.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.97
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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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylbut-2-enediamide?
The IUPAC name of N,N'-dimethylbut-2-enediamide (CID 54344026) is N,N'-dimethylbut-2-enediamide.
What is the SMILES notation for N,N'-dimethylbut-2-enediamide?
The canonical SMILES for N,N'-dimethylbut-2-enediamide is CNC(=O)C=CC(=O)NC.
What is the InChIKey of N,N'-dimethylbut-2-enediamide?
The InChIKey is UAZWJFZZYAUSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-7-5(9)3-4-6(10)8-2/h3-4H,1-2H3,(H,7,9)(H,8,10).
What are the key properties of N,N'-dimethylbut-2-enediamide?
N,N'-dimethylbut-2-enediamide has a molecular weight of 142.16 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylbut-2-enediamide is sourced from PubChem (CID 54344026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).