[(E)-5-(dimethylamino)pent-3-enyl] hypochlorite

C7H14ClNO — CID 88929807

IUPAC[(E)-5-(dimethylamino)pent-3-enyl] hypochlorite
SMILESCN(C)C/C=C/CCOCl
InChIInChI=1S/C7H14ClNO/c1-9(2)6-4-3-5-7-10-8/h3-4H,5-7H2,1-2H3/b4-3+
InChIKeyRDGXPYDIRREVOS-ONEGZZNKSA-N
MW163.65 g/mol
LogP1.66
Rot. Bonds5

About [(E)-5-(dimethylamino)pent-3-enyl] hypochlorite

[(E)-5-(dimethylamino)pent-3-enyl] hypochlorite (PubChem CID 88929807) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is [(E)-5-(dimethylamino)pent-3-enyl] hypochlorite.

Molecular Properties

Compound Name[(E)-5-(dimethylamino)pent-3-enyl] hypochlorite
PubChem CID88929807
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name[(E)-5-(dimethylamino)pent-3-enyl] hypochlorite
SMILESCN(C)C/C=C/CCOCl
InChIInChI=1S/C7H14ClNO/c1-9(2)6-4-3-5-7-10-8/h3-4H,5-7H2,1-2H3/b4-3+
InChIKeyRDGXPYDIRREVOS-ONEGZZNKSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-5-(dimethylamino)pent-3-enyl] hypochlorite?
The IUPAC name of [(E)-5-(dimethylamino)pent-3-enyl] hypochlorite (CID 88929807) is [(E)-5-(dimethylamino)pent-3-enyl] hypochlorite.
What is the SMILES notation for [(E)-5-(dimethylamino)pent-3-enyl] hypochlorite?
The canonical SMILES for [(E)-5-(dimethylamino)pent-3-enyl] hypochlorite is CN(C)C/C=C/CCOCl.
What is the InChIKey of [(E)-5-(dimethylamino)pent-3-enyl] hypochlorite?
The InChIKey is RDGXPYDIRREVOS-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-9(2)6-4-3-5-7-10-8/h3-4H,5-7H2,1-2H3/b4-3+.
What are the key properties of [(E)-5-(dimethylamino)pent-3-enyl] hypochlorite?
[(E)-5-(dimethylamino)pent-3-enyl] hypochlorite has a molecular weight of 163.65 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(dimethylamino)pent-3-enyl] hypochlorite is sourced from PubChem (CID 88929807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).