4-iminopent-2-enimidoyl chloride

C5H7ClN2 — CID 76800601

IUPAC4-iminopent-2-enimidoyl chloride
SMILES[H]/N=C(\Cl)C=C/C(C)=N/[H]
InChIInChI=1S/C5H7ClN2/c1-4(7)2-3-5(6)8/h2-3,7-8H,1H3/b3-2?,7-4+,8-5-
InChIKeyUVCFPCOKEMMFQK-DSVAPSIZSA-N
MW130.58 g/mol
LogP1.80
Rot. Bonds2

About 4-iminopent-2-enimidoyl chloride

4-iminopent-2-enimidoyl chloride (PubChem CID 76800601) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 4-iminopent-2-enimidoyl chloride.

Molecular Properties

Compound Name4-iminopent-2-enimidoyl chloride
PubChem CID76800601
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name4-iminopent-2-enimidoyl chloride
SMILES[H]/N=C(\Cl)C=C/C(C)=N/[H]
InChIInChI=1S/C5H7ClN2/c1-4(7)2-3-5(6)8/h2-3,7-8H,1H3/b3-2?,7-4+,8-5-
InChIKeyUVCFPCOKEMMFQK-DSVAPSIZSA-N
XLogP1.80
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

p-Benzoquinone diimine
CID 138208
Chloro-1,4-benzoquinone diimine
CID 53437151
(Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride
CID 162573379
Cyclohexa-2,5-diene-1,4-diimine;hydrochloride
CID 21387999
(4-Iminocyclohexa-2,5-dien-1-ylidene)azanium
CID 22983322
(4-Iminocyclohexa-2,5-dien-1-ylidene)azanide
CID 23594381
(Z)-4-iminopent-2-enimidoyl chloride
CID 58485320
(4-Azaniumylidenecyclohexa-2,5-dien-1-ylidene)azanide
CID 59061598
(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
(3Z)-5-chlorohexa-3,5-dien-2-imine
CID 123525810

Frequently Asked Questions

What is the IUPAC name of 4-iminopent-2-enimidoyl chloride?
The IUPAC name of 4-iminopent-2-enimidoyl chloride (CID 76800601) is 4-iminopent-2-enimidoyl chloride.
What is the SMILES notation for 4-iminopent-2-enimidoyl chloride?
The canonical SMILES for 4-iminopent-2-enimidoyl chloride is [H]/N=C(\Cl)C=C/C(C)=N/[H].
What is the InChIKey of 4-iminopent-2-enimidoyl chloride?
The InChIKey is UVCFPCOKEMMFQK-DSVAPSIZSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-4(7)2-3-5(6)8/h2-3,7-8H,1H3/b3-2?,7-4+,8-5-.
What are the key properties of 4-iminopent-2-enimidoyl chloride?
4-iminopent-2-enimidoyl chloride has a molecular weight of 130.58 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminopent-2-enimidoyl chloride is sourced from PubChem (CID 76800601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).