(E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide

C9H16N4O2 — CID 135083693

IUPAC(E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide
SMILESCCN(CC)C(=O)/C=C(C)/N=N/C(N)=O
InChIInChI=1S/C9H16N4O2/c1-4-13(5-2)8(14)6-7(3)11-12-9(10)15/h6H,4-5H2,1-3H3,(H2,10,15)/b7-6+,12-11+
InChIKeyCGKCWTIVGSDLRW-PHFMIZANSA-N
MW212.25 g/mol
LogP1.29
Rot. Bonds4

About (E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide

(E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide (PubChem CID 135083693) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide
PubChem CID135083693
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name(E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide
SMILESCCN(CC)C(=O)/C=C(C)/N=N/C(N)=O
InChIInChI=1S/C9H16N4O2/c1-4-13(5-2)8(14)6-7(3)11-12-9(10)15/h6H,4-5H2,1-3H3,(H2,10,15)/b7-6+,12-11+
InChIKeyCGKCWTIVGSDLRW-PHFMIZANSA-N
XLogP1.29
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide?
The IUPAC name of (E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide (CID 135083693) is (E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide.
What is the SMILES notation for (E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide?
The canonical SMILES for (E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide is CCN(CC)C(=O)/C=C(C)/N=N/C(N)=O.
What is the InChIKey of (E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide?
The InChIKey is CGKCWTIVGSDLRW-PHFMIZANSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-13(5-2)8(14)6-7(3)11-12-9(10)15/h6H,4-5H2,1-3H3,(H2,10,15)/b7-6+,12-11+.
What are the key properties of (E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide?
(E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide has a molecular weight of 212.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide is sourced from PubChem (CID 135083693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).