(2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide

C9H17N3O — CID 89057134

IUPAC(2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide
SMILESC=C/C(=N\N(CC)CC)C(=O)NC
InChIInChI=1S/C9H17N3O/c1-5-8(9(13)10-4)11-12(6-2)7-3/h5H,1,6-7H2,2-4H3,(H,10,13)/b11-8+
InChIKeyMRILRWLWGWSFEB-DHZHZOJOSA-N
MW183.25 g/mol
LogP0.62
Rot. Bonds5

About (2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide

(2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide (PubChem CID 89057134) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide.

Molecular Properties

Compound Name(2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide
PubChem CID89057134
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide
SMILESC=C/C(=N\N(CC)CC)C(=O)NC
InChIInChI=1S/C9H17N3O/c1-5-8(9(13)10-4)11-12(6-2)7-3/h5H,1,6-7H2,2-4H3,(H,10,13)/b11-8+
InChIKeyMRILRWLWGWSFEB-DHZHZOJOSA-N
XLogP0.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide?
The IUPAC name of (2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide (CID 89057134) is (2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide.
What is the SMILES notation for (2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide?
The canonical SMILES for (2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide is C=C/C(=N\N(CC)CC)C(=O)NC.
What is the InChIKey of (2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide?
The InChIKey is MRILRWLWGWSFEB-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-8(9(13)10-4)11-12(6-2)7-3/h5H,1,6-7H2,2-4H3,(H,10,13)/b11-8+.
What are the key properties of (2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide?
(2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide is sourced from PubChem (CID 89057134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).