2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide

C7H13N3O — CID 143941179

IUPAC2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide
SMILESC/C=N\NC(C(N)=O)=C(C)C
InChIInChI=1S/C7H13N3O/c1-4-9-10-6(5(2)3)7(8)11/h4,10H,1-3H3,(H2,8,11)/b9-4-
InChIKeyLIWCAIGIYUPIBA-WTKPLQERSA-N
MW155.20 g/mol
LogP0.36
Rot. Bonds3

About 2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide

2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide (PubChem CID 143941179) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide.

Molecular Properties

Compound Name2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide
PubChem CID143941179
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide
SMILESC/C=N\NC(C(N)=O)=C(C)C
InChIInChI=1S/C7H13N3O/c1-4-9-10-6(5(2)3)7(8)11/h4,10H,1-3H3,(H2,8,11)/b9-4-
InChIKeyLIWCAIGIYUPIBA-WTKPLQERSA-N
XLogP0.36
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.36
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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Related Compounds

5-amino-4-methyl-1H-pyridazin-6-one
CID 83680622
5-(butylideneamino)-4-methyl-1H-pyridazin-6-one
CID 126593740
2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylbut-2-enamide
CID 143941273
(E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide
CID 143941275

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide?
The IUPAC name of 2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide (CID 143941179) is 2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide.
What is the SMILES notation for 2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide?
The canonical SMILES for 2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide is C/C=N\NC(C(N)=O)=C(C)C.
What is the InChIKey of 2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide?
The InChIKey is LIWCAIGIYUPIBA-WTKPLQERSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4-9-10-6(5(2)3)7(8)11/h4,10H,1-3H3,(H2,8,11)/b9-4-.
What are the key properties of 2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide?
2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.36, 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]-3-methylbut-2-enamide is sourced from PubChem (CID 143941179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).