3-chloropent-2-enimidoyl chloride

C5H7Cl2N — CID 90838818

IUPAC3-chloropent-2-enimidoyl chloride
SMILES[H]/N=C(\Cl)C=C(Cl)CC
InChIInChI=1S/C5H7Cl2N/c1-2-4(6)3-5(7)8/h3,8H,2H2,1H3/b4-3?,8-5-
InChIKeyODXKCDURXJPQDS-AMXUULGZSA-N
MW152.02 g/mol
LogP2.74
Rot. Bonds2

About 3-chloropent-2-enimidoyl chloride

3-chloropent-2-enimidoyl chloride (PubChem CID 90838818) has the molecular formula C5H7Cl2N and a molecular weight of 152.02 g/mol. Its IUPAC name is 3-chloropent-2-enimidoyl chloride.

Molecular Properties

Compound Name3-chloropent-2-enimidoyl chloride
PubChem CID90838818
Molecular FormulaC5H7Cl2N
Molecular Weight152.02 g/mol
Exact Mass151.00
IUPAC Name3-chloropent-2-enimidoyl chloride
SMILES[H]/N=C(\Cl)C=C(Cl)CC
InChIInChI=1S/C5H7Cl2N/c1-2-4(6)3-5(7)8/h3,8H,2H2,1H3/b4-3?,8-5-
InChIKeyODXKCDURXJPQDS-AMXUULGZSA-N
XLogP2.74
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.02
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-chloro-4-methylpent-2-enimidoyl chloride
CID 17866358
(4Z)-2-chlorohepta-1,4-dien-3-imine
CID 90748717
(E)-4-chloropent-3-en-2-imine
CID 91151084
(E)-3-chloropent-3-en-2-imine
CID 91487209
3-Chlorohex-2-enimidoyl chloride
CID 123449524
(E)-3-methylpent-2-enimidoyl chloride
CID 126628770
(E)-3-chloro-4-iminopent-2-enimidoyl chloride
CID 144816644
3,5-Dichlorocyclohexa-2,5-dien-1-imine
CID 85634482

Frequently Asked Questions

What is the IUPAC name of 3-chloropent-2-enimidoyl chloride?
The IUPAC name of 3-chloropent-2-enimidoyl chloride (CID 90838818) is 3-chloropent-2-enimidoyl chloride.
What is the SMILES notation for 3-chloropent-2-enimidoyl chloride?
The canonical SMILES for 3-chloropent-2-enimidoyl chloride is [H]/N=C(\Cl)C=C(Cl)CC.
What is the InChIKey of 3-chloropent-2-enimidoyl chloride?
The InChIKey is ODXKCDURXJPQDS-AMXUULGZSA-N. The full InChI is InChI=1S/C5H7Cl2N/c1-2-4(6)3-5(7)8/h3,8H,2H2,1H3/b4-3?,8-5-.
What are the key properties of 3-chloropent-2-enimidoyl chloride?
3-chloropent-2-enimidoyl chloride has a molecular weight of 152.02 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropent-2-enimidoyl chloride is sourced from PubChem (CID 90838818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).