(E)-2-aminobut-2-enediimidoyl dichloride

C4H5Cl2N3 — CID 137295960

IUPAC(E)-2-aminobut-2-enediimidoyl dichloride
SMILES[H]/N=C(Cl)/C=C(N)\C(Cl)=N\[H]
InChIInChI=1S/C4H5Cl2N3/c5-3(8)1-2(7)4(6)9/h1,8-9H,7H2/b2-1+,8-3-,9-4-
InChIKeyLQNMCGKEUBIDAL-VONRWYSUSA-N
MW166.01 g/mol
LogP1.26
Rot. Bonds2

About (E)-2-aminobut-2-enediimidoyl dichloride

(E)-2-aminobut-2-enediimidoyl dichloride (PubChem CID 137295960) has the molecular formula C4H5Cl2N3 and a molecular weight of 166.01 g/mol. Its IUPAC name is (E)-2-aminobut-2-enediimidoyl dichloride.

Molecular Properties

Compound Name(E)-2-aminobut-2-enediimidoyl dichloride
PubChem CID137295960
Molecular FormulaC4H5Cl2N3
Molecular Weight166.01 g/mol
Exact Mass164.99
IUPAC Name(E)-2-aminobut-2-enediimidoyl dichloride
SMILES[H]/N=C(Cl)/C=C(N)\C(Cl)=N\[H]
InChIInChI=1S/C4H5Cl2N3/c5-3(8)1-2(7)4(6)9/h1,8-9H,7H2/b2-1+,8-3-,9-4-
InChIKeyLQNMCGKEUBIDAL-VONRWYSUSA-N
XLogP1.26
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.01
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyl-4-oxobut-2-enimidoyl chloride
CID 138622786
(E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride
CID 169052382
3-amino-2-ethenylbut-2-enimidoyl chloride
CID 163959040
(E)-3-chloro-3-(propan-2-ylamino)prop-2-enimidoyl chloride
CID 174334992
(E)-3-chloro-3-(ethylamino)prop-2-enimidoyl chloride
CID 167092173
(Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride
CID 166981538
methyl (Z)-2-[(1S)-1-[[(E)-2-amino-3-fluoro-3-iminoprop-1-enyl]amino]ethyl]-4-chloro-4-iminobut-2-enimidate
CID 168935699
2-chloroprop-2-enimidoyl chloride
CID 138597266
(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride
CID 123995117
(Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride
CID 155317184
(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
CID 168898427
(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride
CID 138494935

Frequently Asked Questions

What is the IUPAC name of (E)-2-aminobut-2-enediimidoyl dichloride?
The IUPAC name of (E)-2-aminobut-2-enediimidoyl dichloride (CID 137295960) is (E)-2-aminobut-2-enediimidoyl dichloride.
What is the SMILES notation for (E)-2-aminobut-2-enediimidoyl dichloride?
The canonical SMILES for (E)-2-aminobut-2-enediimidoyl dichloride is [H]/N=C(Cl)/C=C(N)\C(Cl)=N\[H].
What is the InChIKey of (E)-2-aminobut-2-enediimidoyl dichloride?
The InChIKey is LQNMCGKEUBIDAL-VONRWYSUSA-N. The full InChI is InChI=1S/C4H5Cl2N3/c5-3(8)1-2(7)4(6)9/h1,8-9H,7H2/b2-1+,8-3-,9-4-.
What are the key properties of (E)-2-aminobut-2-enediimidoyl dichloride?
(E)-2-aminobut-2-enediimidoyl dichloride has a molecular weight of 166.01 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-aminobut-2-enediimidoyl dichloride is sourced from PubChem (CID 137295960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).