N'-prop-1-en-2-ylcarbamimidoyl chloride

C4H7ClN2 — CID 123215264

IUPACN'-prop-1-en-2-ylcarbamimidoyl chloride
SMILESC=C(C)/N=C(/N)Cl
InChIInChI=1S/C4H7ClN2/c1-3(2)7-4(5)6/h1H2,2H3,(H2,6,7)
InChIKeyTYLGACXCKJVKKJ-UHFFFAOYSA-N
MW118.57 g/mol
LogP1.07
Rot. Bonds1

About N'-prop-1-en-2-ylcarbamimidoyl chloride

N'-prop-1-en-2-ylcarbamimidoyl chloride (PubChem CID 123215264) has the molecular formula C4H7ClN2 and a molecular weight of 118.57 g/mol. Its IUPAC name is N'-prop-1-en-2-ylcarbamimidoyl chloride.

Molecular Properties

Compound NameN'-prop-1-en-2-ylcarbamimidoyl chloride
PubChem CID123215264
Molecular FormulaC4H7ClN2
Molecular Weight118.57 g/mol
Exact Mass118.03
IUPAC NameN'-prop-1-en-2-ylcarbamimidoyl chloride
SMILESC=C(C)/N=C(/N)Cl
InChIInChI=1S/C4H7ClN2/c1-3(2)7-4(5)6/h1H2,2H3,(H2,6,7)
InChIKeyTYLGACXCKJVKKJ-UHFFFAOYSA-N
XLogP1.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.57
LogP ≤ 51.07
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

N'-(3-fluorobut-1-en-2-yl)carbamimidoyl chloride
CID 169984986
N'-prop-1-en-2-ylmethanediimine
CID 53630501
N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride
CID 123333180
N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride
CID 135268661
2-Prop-1-en-2-ylguanidine
CID 142003651
N'-buta-1,3-dien-2-ylcarbamimidoyl chloride
CID 156305298
N'-but-1-en-2-ylcarbamimidoyl chloride
CID 166806938
1-(Diaminomethylidene)-2-prop-1-en-2-ylguanidine
CID 88996712
N'-prop-1-en-2-ylmethanediimine
CID 136202157

Frequently Asked Questions

What is the IUPAC name of N'-prop-1-en-2-ylcarbamimidoyl chloride?
The IUPAC name of N'-prop-1-en-2-ylcarbamimidoyl chloride (CID 123215264) is N'-prop-1-en-2-ylcarbamimidoyl chloride.
What is the SMILES notation for N'-prop-1-en-2-ylcarbamimidoyl chloride?
The canonical SMILES for N'-prop-1-en-2-ylcarbamimidoyl chloride is C=C(C)/N=C(/N)Cl.
What is the InChIKey of N'-prop-1-en-2-ylcarbamimidoyl chloride?
The InChIKey is TYLGACXCKJVKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN2/c1-3(2)7-4(5)6/h1H2,2H3,(H2,6,7).
What are the key properties of N'-prop-1-en-2-ylcarbamimidoyl chloride?
N'-prop-1-en-2-ylcarbamimidoyl chloride has a molecular weight of 118.57 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-1-en-2-ylcarbamimidoyl chloride is sourced from PubChem (CID 123215264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).