(E)-3-chloro-4-iminopent-2-enimidoyl chloride

C5H6Cl2N2 — CID 144816644

IUPAC(E)-3-chloro-4-iminopent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(Cl)\C(C)=N\[H]
InChIInChI=1S/C5H6Cl2N2/c1-3(8)4(6)2-5(7)9/h2,8-9H,1H3/b4-2+,8-3+,9-5-
InChIKeySMSXGCPQMGYGEE-ACLALUOKSA-N
MW165.02 g/mol
LogP2.36
Rot. Bonds2

About (E)-3-chloro-4-iminopent-2-enimidoyl chloride

(E)-3-chloro-4-iminopent-2-enimidoyl chloride (PubChem CID 144816644) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is (E)-3-chloro-4-iminopent-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-3-chloro-4-iminopent-2-enimidoyl chloride
PubChem CID144816644
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name(E)-3-chloro-4-iminopent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(Cl)\C(C)=N\[H]
InChIInChI=1S/C5H6Cl2N2/c1-3(8)4(6)2-5(7)9/h2,8-9H,1H3/b4-2+,8-3+,9-5-
InChIKeySMSXGCPQMGYGEE-ACLALUOKSA-N
XLogP2.36
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 52.36
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

Chloro-1,4-benzoquinone diimine
CID 53437151
(Z)-4-iminopent-2-enimidoyl chloride
CID 58485320
4-Iminopent-2-enimidoyl chloride
CID 76800601
(4Z)-2-chlorohepta-1,4-dien-3-imine
CID 90748717
3-Chloropent-2-enimidoyl chloride
CID 90838818
(E)-4-chloropent-3-en-2-imine
CID 91151084
(E)-3-chloropent-3-en-2-imine
CID 91487209
2,7-Dichlorocyclohepta-2,6-dien-1-imine
CID 123325878
[(Z)-5-chloro-5-iminopent-3-en-2-ylidene]azanium
CID 141989637
(E)-2-chloro-4-iminopent-2-enenitrile
CID 143378313
(E)-3-chloro-4-cyano-4-iminobut-2-enimidoyl chloride
CID 145129047
(E)-3-chlorohex-3-ene-2,5-diimine;ethane
CID 176561080

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-4-iminopent-2-enimidoyl chloride?
The IUPAC name of (E)-3-chloro-4-iminopent-2-enimidoyl chloride (CID 144816644) is (E)-3-chloro-4-iminopent-2-enimidoyl chloride.
What is the SMILES notation for (E)-3-chloro-4-iminopent-2-enimidoyl chloride?
The canonical SMILES for (E)-3-chloro-4-iminopent-2-enimidoyl chloride is [H]/N=C(Cl)/C=C(Cl)\C(C)=N\[H].
What is the InChIKey of (E)-3-chloro-4-iminopent-2-enimidoyl chloride?
The InChIKey is SMSXGCPQMGYGEE-ACLALUOKSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c1-3(8)4(6)2-5(7)9/h2,8-9H,1H3/b4-2+,8-3+,9-5-.
What are the key properties of (E)-3-chloro-4-iminopent-2-enimidoyl chloride?
(E)-3-chloro-4-iminopent-2-enimidoyl chloride has a molecular weight of 165.02 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-4-iminopent-2-enimidoyl chloride is sourced from PubChem (CID 144816644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).