N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide

C7H13N3O — CID 170027093

IUPACN-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide
SMILESC=C(/C(C)=N\N)N(C)C(C)=O
InChIInChI=1S/C7H13N3O/c1-5(9-8)6(2)10(4)7(3)11/h2,8H2,1,3-4H3/b9-5-
InChIKeyOWXMRFTVZVKZRQ-UITAMQMPSA-N
MW155.20 g/mol
LogP0.31
Rot. Bonds2

About N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide

N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide (PubChem CID 170027093) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide
PubChem CID170027093
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide
SMILESC=C(/C(C)=N\N)N(C)C(C)=O
InChIInChI=1S/C7H13N3O/c1-5(9-8)6(2)10(4)7(3)11/h2,8H2,1,3-4H3/b9-5-
InChIKeyOWXMRFTVZVKZRQ-UITAMQMPSA-N
XLogP0.31
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide?
The IUPAC name of N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide (CID 170027093) is N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide?
The canonical SMILES for N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide is C=C(/C(C)=N\N)N(C)C(C)=O.
What is the InChIKey of N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide?
The InChIKey is OWXMRFTVZVKZRQ-UITAMQMPSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(9-8)6(2)10(4)7(3)11/h2,8H2,1,3-4H3/b9-5-.
What are the key properties of N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide?
N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide has a molecular weight of 155.20 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-hydrazinylidenebut-1-en-2-yl]-N-methylacetamide is sourced from PubChem (CID 170027093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).