N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride

C5H9ClN2 — CID 123333180

IUPACN'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride
SMILESC/C=C(C)\N=C(\N)Cl
InChIInChI=1S/C5H9ClN2/c1-3-4(2)8-5(6)7/h3H,1-2H3,(H2,7,8)/b4-3-
InChIKeyHRSFCTBLGBYPNJ-ARJAWSKDSA-N
MW132.59 g/mol
LogP1.46
Rot. Bonds1

About N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride

N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride (PubChem CID 123333180) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride
PubChem CID123333180
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC NameN'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride
SMILESC/C=C(C)\N=C(\N)Cl
InChIInChI=1S/C5H9ClN2/c1-3-4(2)8-5(6)7/h3H,1-2H3,(H2,7,8)/b4-3-
InChIKeyHRSFCTBLGBYPNJ-ARJAWSKDSA-N
XLogP1.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.46
H-Bond Donors ≤ 51
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

2-[(2E)-penta-2,4-dien-2-yl]guanidine
CID 58082055
2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
CID 91577824
N'-prop-1-en-2-ylcarbamimidoyl chloride
CID 123215264
N'-[(E)-but-2-en-2-yl]methanimidamide
CID 123223084
N'-[(Z)-but-2-en-2-yl]methanimidamide
CID 123841719
2-[(Z)-but-2-en-2-yl]-1-methylideneguanidine
CID 126672316
2-Prop-1-en-2-ylguanidine
CID 142003651
N'-[(Z)-3-aminobut-2-en-2-yl]carbamimidoyl chloride
CID 165133909
N'-but-1-en-2-ylcarbamimidoyl chloride
CID 166806938
N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide
CID 166836793
2-[(E)-but-2-en-2-yl]guanidine
CID 167013469
N-[(Z)-but-2-en-2-yl]-N'-methylcarbamimidoyl chloride
CID 169847018

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride (CID 123333180) is N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride is C/C=C(C)\N=C(\N)Cl.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride?
The InChIKey is HRSFCTBLGBYPNJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9ClN2/c1-3-4(2)8-5(6)7/h3H,1-2H3,(H2,7,8)/b4-3-.
What are the key properties of N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride?
N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride has a molecular weight of 132.59 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride is sourced from PubChem (CID 123333180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).