(E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride

C5H3Cl3N2O — CID 169052382

IUPAC(E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride
SMILES[H]/N=C(Cl)/C=C(Cl)\C(=N\[H])C(=O)Cl
InChIInChI=1S/C5H3Cl3N2O/c6-2(1-3(7)9)4(10)5(8)11/h1,9-10H/b2-1+,9-3-,10-4-
InChIKeyQKCAGMIUYHLBDS-SWKMESFRSA-N
MW213.45 g/mol
LogP2.11
Rot. Bonds3

About (E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride

(E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride (PubChem CID 169052382) has the molecular formula C5H3Cl3N2O and a molecular weight of 213.45 g/mol. Its IUPAC name is (E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride.

Molecular Properties

Compound Name(E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride
PubChem CID169052382
Molecular FormulaC5H3Cl3N2O
Molecular Weight213.45 g/mol
Exact Mass211.93
IUPAC Name(E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride
SMILES[H]/N=C(Cl)/C=C(Cl)\C(=N\[H])C(=O)Cl
InChIInChI=1S/C5H3Cl3N2O/c6-2(1-3(7)9)4(10)5(8)11/h1,9-10H/b2-1+,9-3-,10-4-
InChIKeyQKCAGMIUYHLBDS-SWKMESFRSA-N
XLogP2.11
TPSA64.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyl-4-oxobut-2-enimidoyl chloride
CID 138622786
4-oxopent-2-enimidoyl chloride
CID 123619964
(Z)-3-methyl-4-prop-1-en-2-yliminobut-2-enimidoyl chloride
CID 155317184
(E)-2-aminobut-2-enediimidoyl dichloride
CID 137295960
(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
(E)-3-bromo-3-(1H-imidazol-2-yl)prop-2-enimidoyl chloride
CID 137084820
[(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium
CID 143477267
[(Z)-1-chloro-4-imino-4-methoxy-1-oxobut-2-en-2-yl]oxidanium
CID 163762488
2-bromo-2-iminoacetic acid
CID 151498749
2-imino-3-methylbutanoyl chloride
CID 142079723

Frequently Asked Questions

What is the IUPAC name of (E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride?
The IUPAC name of (E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride (CID 169052382) is (E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride.
What is the SMILES notation for (E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride?
The canonical SMILES for (E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride is [H]/N=C(Cl)/C=C(Cl)\C(=N\[H])C(=O)Cl.
What is the InChIKey of (E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride?
The InChIKey is QKCAGMIUYHLBDS-SWKMESFRSA-N. The full InChI is InChI=1S/C5H3Cl3N2O/c6-2(1-3(7)9)4(10)5(8)11/h1,9-10H/b2-1+,9-3-,10-4-.
What are the key properties of (E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride?
(E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride has a molecular weight of 213.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride is sourced from PubChem (CID 169052382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).