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

C7H12N2 — CID 89008112

IUPACN'-[(1Z)-buta-1,3-dienyl]propanimidamide
SMILESC=C/C=C\N=C(\N)CC
InChIInChI=1S/C7H12N2/c1-3-5-6-9-7(8)4-2/h3,5-6H,1,4H2,2H3,(H2,8,9)/b6-5-
InChIKeyGRWFWNSWMQBSCO-WAYWQWQTSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds3

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

N'-[(1Z)-buta-1,3-dienyl]propanimidamide (PubChem CID 89008112) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(1Z)-buta-1,3-dienyl]propanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-buta-1,3-dienyl]propanimidamide
PubChem CID89008112
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(1Z)-buta-1,3-dienyl]propanimidamide
SMILESC=C/C=C\N=C(\N)CC
InChIInChI=1S/C7H12N2/c1-3-5-6-9-7(8)4-2/h3,5-6H,1,4H2,2H3,(H2,8,9)/b6-5-
InChIKeyGRWFWNSWMQBSCO-WAYWQWQTSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
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]propanimidamide?
The IUPAC name of N'-[(1Z)-buta-1,3-dienyl]propanimidamide (CID 89008112) is N'-[(1Z)-buta-1,3-dienyl]propanimidamide.
What is the SMILES notation for N'-[(1Z)-buta-1,3-dienyl]propanimidamide?
The canonical SMILES for N'-[(1Z)-buta-1,3-dienyl]propanimidamide is C=C/C=C\N=C(\N)CC.
What is the InChIKey of N'-[(1Z)-buta-1,3-dienyl]propanimidamide?
The InChIKey is GRWFWNSWMQBSCO-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-6-9-7(8)4-2/h3,5-6H,1,4H2,2H3,(H2,8,9)/b6-5-.
What are the key properties of N'-[(1Z)-buta-1,3-dienyl]propanimidamide?
N'-[(1Z)-buta-1,3-dienyl]propanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.45, 3 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]propanimidamide is sourced from PubChem (CID 89008112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).