N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide

C8H13N3 — CID 167218593

IUPACN'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide
SMILESC=NC(=C)N/C=N/C/C=C\C
InChIInChI=1S/C8H13N3/c1-4-5-6-10-7-11-8(2)9-3/h4-5,7H,2-3,6H2,1H3,(H,10,11)/b5-4-
InChIKeyXERIRMZSJVKVNB-PLNGDYQASA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds5

About N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide

N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide (PubChem CID 167218593) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide
PubChem CID167218593
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide
SMILESC=NC(=C)N/C=N/C/C=C\C
InChIInChI=1S/C8H13N3/c1-4-5-6-10-7-11-8(2)9-3/h4-5,7H,2-3,6H2,1H3,(H,10,11)/b5-4-
InChIKeyXERIRMZSJVKVNB-PLNGDYQASA-N
XLogP1.35
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide?
The IUPAC name of N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide (CID 167218593) is N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide.
What is the SMILES notation for N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide?
The canonical SMILES for N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide is C=NC(=C)N/C=N/C/C=C\C.
What is the InChIKey of N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide?
The InChIKey is XERIRMZSJVKVNB-PLNGDYQASA-N. The full InChI is InChI=1S/C8H13N3/c1-4-5-6-10-7-11-8(2)9-3/h4-5,7H,2-3,6H2,1H3,(H,10,11)/b5-4-.
What are the key properties of N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide?
N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide has a molecular weight of 151.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-enyl]-N-[1-(methylideneamino)ethenyl]methanimidamide is sourced from PubChem (CID 167218593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).