2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide

C8H15N3O — CID 143941273

IUPAC2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide
SMILESC/C=N\NC(C(=O)NC)=C(C)C
InChIInChI=1S/C8H15N3O/c1-5-10-11-7(6(2)3)8(12)9-4/h5,11H,1-4H3,(H,9,12)/b10-5-
InChIKeyKVAVDJPRGYQTCA-YHYXMXQVSA-N
MW169.23 g/mol
LogP0.62
Rot. Bonds3

About 2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide

2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide (PubChem CID 143941273) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide.

Molecular Properties

Compound Name2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide
PubChem CID143941273
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide
SMILESC/C=N\NC(C(=O)NC)=C(C)C
InChIInChI=1S/C8H15N3O/c1-5-10-11-7(6(2)3)8(12)9-4/h5,11H,1-4H3,(H,9,12)/b10-5-
InChIKeyKVAVDJPRGYQTCA-YHYXMXQVSA-N
XLogP0.62
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide?
The IUPAC name of 2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide (CID 143941273) is 2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide.
What is the SMILES notation for 2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide?
The canonical SMILES for 2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide is C/C=N\NC(C(=O)NC)=C(C)C.
What is the InChIKey of 2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide?
The InChIKey is KVAVDJPRGYQTCA-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5-10-11-7(6(2)3)8(12)9-4/h5,11H,1-4H3,(H,9,12)/b10-5-.
What are the key properties of 2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide?
2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide has a molecular weight of 169.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide is sourced from PubChem (CID 143941273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).