N'-ethenyl-2-iminopropanimidamide

C5H9N3 — CID 126657985

IUPACN'-ethenyl-2-iminopropanimidamide
SMILES[H]/N=C(C)/C(N)=N/C=C
InChIInChI=1S/C5H9N3/c1-3-8-5(7)4(2)6/h3,6H,1H2,2H3,(H2,7,8)/b6-4+
InChIKeyQMNFXAHRNABUOX-GQCTYLIASA-N
MW111.15 g/mol
LogP0.53
Rot. Bonds2

About N'-ethenyl-2-iminopropanimidamide

N'-ethenyl-2-iminopropanimidamide (PubChem CID 126657985) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N'-ethenyl-2-iminopropanimidamide.

Molecular Properties

Compound NameN'-ethenyl-2-iminopropanimidamide
PubChem CID126657985
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN'-ethenyl-2-iminopropanimidamide
SMILES[H]/N=C(C)/C(N)=N/C=C
InChIInChI=1S/C5H9N3/c1-3-8-5(7)4(2)6/h3,6H,1H2,2H3,(H2,7,8)/b6-4+
InChIKeyQMNFXAHRNABUOX-GQCTYLIASA-N
XLogP0.53
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2-iminopropanimidamide?
The IUPAC name of N'-ethenyl-2-iminopropanimidamide (CID 126657985) is N'-ethenyl-2-iminopropanimidamide.
What is the SMILES notation for N'-ethenyl-2-iminopropanimidamide?
The canonical SMILES for N'-ethenyl-2-iminopropanimidamide is [H]/N=C(C)/C(N)=N/C=C.
What is the InChIKey of N'-ethenyl-2-iminopropanimidamide?
The InChIKey is QMNFXAHRNABUOX-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9N3/c1-3-8-5(7)4(2)6/h3,6H,1H2,2H3,(H2,7,8)/b6-4+.
What are the key properties of N'-ethenyl-2-iminopropanimidamide?
N'-ethenyl-2-iminopropanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-iminopropanimidamide is sourced from PubChem (CID 126657985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).