N'-[(1Z)-buta-1,3-dienyl]ethanimidamide

C6H10N2 — CID 88888743

IUPACN'-[(1Z)-buta-1,3-dienyl]ethanimidamide
SMILESC=C/C=C\N=C(/C)N
InChIInChI=1S/C6H10N2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3,(H2,7,8)/b5-4-
InChIKeyWTHZCOBQYAXPBS-PLNGDYQASA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About N'-[(1Z)-buta-1,3-dienyl]ethanimidamide

N'-[(1Z)-buta-1,3-dienyl]ethanimidamide (PubChem CID 88888743) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-[(1Z)-buta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-buta-1,3-dienyl]ethanimidamide
PubChem CID88888743
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-[(1Z)-buta-1,3-dienyl]ethanimidamide
SMILESC=C/C=C\N=C(/C)N
InChIInChI=1S/C6H10N2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3,(H2,7,8)/b5-4-
InChIKeyWTHZCOBQYAXPBS-PLNGDYQASA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-buta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1Z)-buta-1,3-dienyl]ethanimidamide (CID 88888743) is N'-[(1Z)-buta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1Z)-buta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1Z)-buta-1,3-dienyl]ethanimidamide is C=C/C=C\N=C(/C)N.
What is the InChIKey of N'-[(1Z)-buta-1,3-dienyl]ethanimidamide?
The InChIKey is WTHZCOBQYAXPBS-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10N2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3,(H2,7,8)/b5-4-.
What are the key properties of N'-[(1Z)-buta-1,3-dienyl]ethanimidamide?
N'-[(1Z)-buta-1,3-dienyl]ethanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-buta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 88888743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).