N-(ethenyliminomethyl)carbamimidoyl iodide

C4H6IN3 — CID 176527742

IUPACN-(ethenyliminomethyl)carbamimidoyl iodide
SMILES[H]/N=C(\I)N/C=N/C=C
InChIInChI=1S/C4H6IN3/c1-2-7-3-8-4(5)6/h2-3H,1H2,(H2,6,7,8)
InChIKeyDHIONAKUAKPIQR-UHFFFAOYSA-N
MW223.02 g/mol
LogP1.12
Rot. Bonds2

About N-(ethenyliminomethyl)carbamimidoyl iodide

N-(ethenyliminomethyl)carbamimidoyl iodide (PubChem CID 176527742) has the molecular formula C4H6IN3 and a molecular weight of 223.02 g/mol. Its IUPAC name is N-(ethenyliminomethyl)carbamimidoyl iodide.

Molecular Properties

Compound NameN-(ethenyliminomethyl)carbamimidoyl iodide
PubChem CID176527742
Molecular FormulaC4H6IN3
Molecular Weight223.02 g/mol
Exact Mass222.96
IUPAC NameN-(ethenyliminomethyl)carbamimidoyl iodide
SMILES[H]/N=C(\I)N/C=N/C=C
InChIInChI=1S/C4H6IN3/c1-2-7-3-8-4(5)6/h2-3H,1H2,(H2,6,7,8)
InChIKeyDHIONAKUAKPIQR-UHFFFAOYSA-N
XLogP1.12
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 51.12
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide
CID 118900942
N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide
CID 176545674
N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide
CID 170580907
N-[(3E)-5-bromo-3-cyanohexa-1,3,5-trien-2-yl]-N'-ethenylmethanimidamide
CID 142874050
ethenyldiazene;molybdenum
CID 175740791
carbanide;ethenyldiazene;nickel(2+);dichloride
CID 173176204
2-iodo-N-(methyliminomethyl)ethanimidamide
CID 176523218
3-amino-2-iodo-N-methylideneprop-2-enimidamide
CID 153028028
methylamino N-ethenylmethanimidothioate
CID 129192244
2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide
CID 136966769
1-carbamimidoylguanidine;prop-1-ene
CID 176521577
2-imino-2-(methyliminomethylamino)acetic acid
CID 176535373

Frequently Asked Questions

What is the IUPAC name of N-(ethenyliminomethyl)carbamimidoyl iodide?
The IUPAC name of N-(ethenyliminomethyl)carbamimidoyl iodide (CID 176527742) is N-(ethenyliminomethyl)carbamimidoyl iodide.
What is the SMILES notation for N-(ethenyliminomethyl)carbamimidoyl iodide?
The canonical SMILES for N-(ethenyliminomethyl)carbamimidoyl iodide is [H]/N=C(\I)N/C=N/C=C.
What is the InChIKey of N-(ethenyliminomethyl)carbamimidoyl iodide?
The InChIKey is DHIONAKUAKPIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6IN3/c1-2-7-3-8-4(5)6/h2-3H,1H2,(H2,6,7,8).
What are the key properties of N-(ethenyliminomethyl)carbamimidoyl iodide?
N-(ethenyliminomethyl)carbamimidoyl iodide has a molecular weight of 223.02 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethenyliminomethyl)carbamimidoyl iodide is sourced from PubChem (CID 176527742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).