carbamimidoyl-ethenyl-methylideneazanium

C4H8N3+ — CID 123442553

IUPACcarbamimidoyl-ethenyl-methylideneazanium
SMILES[H]/N=C(\N)[N+](=C)C=C
InChIInChI=1S/C4H8N3/c1-3-7(2)4(5)6/h3H,1-2H2,(H3,5,6)/q+1
InChIKeyCFKKRNXBXFLBOT-UHFFFAOYSA-N
MW98.13 g/mol
LogP-0.26
Rot. Bonds1

About carbamimidoyl-ethenyl-methylideneazanium

carbamimidoyl-ethenyl-methylideneazanium (PubChem CID 123442553) has the molecular formula C4H8N3+ and a molecular weight of 98.13 g/mol. Its IUPAC name is carbamimidoyl-ethenyl-methylideneazanium.

Molecular Properties

Compound Namecarbamimidoyl-ethenyl-methylideneazanium
PubChem CID123442553
Molecular FormulaC4H8N3+
Molecular Weight98.13 g/mol
Exact Mass98.07
IUPAC Namecarbamimidoyl-ethenyl-methylideneazanium
SMILES[H]/N=C(\N)[N+](=C)C=C
InChIInChI=1S/C4H8N3/c1-3-7(2)4(5)6/h3H,1-2H2,(H3,5,6)/q+1
InChIKeyCFKKRNXBXFLBOT-UHFFFAOYSA-N
XLogP-0.26
TPSA52.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamimidoyl-ethenyl-methylideneazanium?
The IUPAC name of carbamimidoyl-ethenyl-methylideneazanium (CID 123442553) is carbamimidoyl-ethenyl-methylideneazanium.
What is the SMILES notation for carbamimidoyl-ethenyl-methylideneazanium?
The canonical SMILES for carbamimidoyl-ethenyl-methylideneazanium is [H]/N=C(\N)[N+](=C)C=C.
What is the InChIKey of carbamimidoyl-ethenyl-methylideneazanium?
The InChIKey is CFKKRNXBXFLBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N3/c1-3-7(2)4(5)6/h3H,1-2H2,(H3,5,6)/q+1.
What are the key properties of carbamimidoyl-ethenyl-methylideneazanium?
carbamimidoyl-ethenyl-methylideneazanium has a molecular weight of 98.13 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl-ethenyl-methylideneazanium is sourced from PubChem (CID 123442553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).