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

C5H7ClN2 — CID 135268661

IUPACN-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride
SMILESC=N/C(Cl)=N/C(=C)C
InChIInChI=1S/C5H7ClN2/c1-4(2)8-5(6)7-3/h1,3H2,2H3/b8-5+
InChIKeyHUBALFUSOKCLNY-VMPITWQZSA-N
MW130.58 g/mol
LogP1.82
Rot. Bonds1

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

N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride (PubChem CID 135268661) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride.

Molecular Properties

Compound NameN-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride
PubChem CID135268661
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC NameN-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride
SMILESC=N/C(Cl)=N/C(=C)C
InChIInChI=1S/C5H7ClN2/c1-4(2)8-5(6)7-3/h1,3H2,2H3/b8-5+
InChIKeyHUBALFUSOKCLNY-VMPITWQZSA-N
XLogP1.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride?
The IUPAC name of N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride (CID 135268661) is N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride.
What is the SMILES notation for N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride?
The canonical SMILES for N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride is C=N/C(Cl)=N/C(=C)C.
What is the InChIKey of N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride?
The InChIKey is HUBALFUSOKCLNY-VMPITWQZSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-4(2)8-5(6)7-3/h1,3H2,2H3/b8-5+.
What are the key properties of N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride?
N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride has a molecular weight of 130.58 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-prop-1-en-2-ylcarbamimidoyl chloride is sourced from PubChem (CID 135268661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).