N'-ethenyl-N-methylidenecarbamimidoyl chloride

C4H5ClN2 — CID 123893518

IUPACN'-ethenyl-N-methylidenecarbamimidoyl chloride
SMILESC=C/N=C(\Cl)N=C
InChIInChI=1S/C4H5ClN2/c1-3-7-4(5)6-2/h3H,1-2H2/b7-4+
InChIKeyLSTBJHNSWHXSEF-QPJJXVBHSA-N
MW116.55 g/mol
LogP1.43
Rot. Bonds1

About N'-ethenyl-N-methylidenecarbamimidoyl chloride

N'-ethenyl-N-methylidenecarbamimidoyl chloride (PubChem CID 123893518) has the molecular formula C4H5ClN2 and a molecular weight of 116.55 g/mol. Its IUPAC name is N'-ethenyl-N-methylidenecarbamimidoyl chloride.

Molecular Properties

Compound NameN'-ethenyl-N-methylidenecarbamimidoyl chloride
PubChem CID123893518
Molecular FormulaC4H5ClN2
Molecular Weight116.55 g/mol
Exact Mass116.01
IUPAC NameN'-ethenyl-N-methylidenecarbamimidoyl chloride
SMILESC=C/N=C(\Cl)N=C
InChIInChI=1S/C4H5ClN2/c1-3-7-4(5)6-2/h3H,1-2H2/b7-4+
InChIKeyLSTBJHNSWHXSEF-QPJJXVBHSA-N
XLogP1.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.55
LogP ≤ 51.43
H-Bond Donors ≤ 50
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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3,4,6-Triazaocta-1,3,5,7-tetraene
CID 89223796
1,3,5-Triazacyclohepta-1,3,4,6-tetraene
CID 91325987
N'-ethenyl-N-methylidenecarbamimidoyl fluoride
CID 171497193
N'-ethenyl-N-methylidenemethanimidamide
CID 90903236
N'-(1-chloroethenyl)-N-methylidenemethanimidamide
CID 91023125
2-Ethenyl-1-methylideneguanidine
CID 91490843
N'-ethenylcarbamimidoyl chloride
CID 123279356
ethane;N'-ethenyl-N-methylidenemethanimidamide
CID 143822085
N'-ethenyl-N-methylidenecarbamimidoyl bromide
CID 144080315
(NZ)-N'-ethenyl-N-ethylidenecarbamimidoyl chloride
CID 144178465
N'-(1-chloroethenyl)-N-methylidenemethanimidamide
CID 145428726
N'-ethenyl-N-[(methylideneamino)methylidene]methanimidamide
CID 149183574

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methylidenecarbamimidoyl chloride?
The IUPAC name of N'-ethenyl-N-methylidenecarbamimidoyl chloride (CID 123893518) is N'-ethenyl-N-methylidenecarbamimidoyl chloride.
What is the SMILES notation for N'-ethenyl-N-methylidenecarbamimidoyl chloride?
The canonical SMILES for N'-ethenyl-N-methylidenecarbamimidoyl chloride is C=C/N=C(\Cl)N=C.
What is the InChIKey of N'-ethenyl-N-methylidenecarbamimidoyl chloride?
The InChIKey is LSTBJHNSWHXSEF-QPJJXVBHSA-N. The full InChI is InChI=1S/C4H5ClN2/c1-3-7-4(5)6-2/h3H,1-2H2/b7-4+.
What are the key properties of N'-ethenyl-N-methylidenecarbamimidoyl chloride?
N'-ethenyl-N-methylidenecarbamimidoyl chloride has a molecular weight of 116.55 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methylidenecarbamimidoyl chloride is sourced from PubChem (CID 123893518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).