3-aminoprop-2-enimidoyl chloride

C3H5ClN2 — CID 173482361

IUPAC3-aminoprop-2-enimidoyl chloride
SMILES[H]/N=C(\Cl)C=CN
InChIInChI=1S/C3H5ClN2/c4-3(6)1-2-5/h1-2,6H,5H2/b2-1?,6-3-
InChIKeyDVMGOJVEWSRALT-PYSZGWBNSA-N
MW104.54 g/mol
LogP0.67
Rot. Bonds1

About 3-aminoprop-2-enimidoyl chloride

3-aminoprop-2-enimidoyl chloride (PubChem CID 173482361) has the molecular formula C3H5ClN2 and a molecular weight of 104.54 g/mol. Its IUPAC name is 3-aminoprop-2-enimidoyl chloride.

Molecular Properties

Compound Name3-aminoprop-2-enimidoyl chloride
PubChem CID173482361
Molecular FormulaC3H5ClN2
Molecular Weight104.54 g/mol
Exact Mass104.01
IUPAC Name3-aminoprop-2-enimidoyl chloride
SMILES[H]/N=C(\Cl)C=CN
InChIInChI=1S/C3H5ClN2/c4-3(6)1-2-5/h1-2,6H,5H2/b2-1?,6-3-
InChIKeyDVMGOJVEWSRALT-PYSZGWBNSA-N
XLogP0.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.54
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminoprop-2-enimidoyl chloride?
The IUPAC name of 3-aminoprop-2-enimidoyl chloride (CID 173482361) is 3-aminoprop-2-enimidoyl chloride.
What is the SMILES notation for 3-aminoprop-2-enimidoyl chloride?
The canonical SMILES for 3-aminoprop-2-enimidoyl chloride is [H]/N=C(\Cl)C=CN.
What is the InChIKey of 3-aminoprop-2-enimidoyl chloride?
The InChIKey is DVMGOJVEWSRALT-PYSZGWBNSA-N. The full InChI is InChI=1S/C3H5ClN2/c4-3(6)1-2-5/h1-2,6H,5H2/b2-1?,6-3-.
What are the key properties of 3-aminoprop-2-enimidoyl chloride?
3-aminoprop-2-enimidoyl chloride has a molecular weight of 104.54 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoprop-2-enimidoyl chloride is sourced from PubChem (CID 173482361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).