(Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine

C8H8I2N4 — CID 121327737

IUPAC(Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine
SMILES[H]/N=C(\C=N\C=C/I)C(=C/I)/N=C/C=N/[H]
InChIInChI=1S/C8H8I2N4/c9-1-3-13-6-7(12)8(5-10)14-4-2-11/h1-6,11-12H/b3-1-,8-5-,11-2+,12-7+,13-6+,14-4+
InChIKeyBCRPUNOORROALD-UEYQWDPZSA-N
MW413.99 g/mol
LogP2.98
Rot. Bonds5

About (Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine

(Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine (PubChem CID 121327737) has the molecular formula C8H8I2N4 and a molecular weight of 413.99 g/mol. Its IUPAC name is (Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine.

Molecular Properties

Compound Name(Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine
PubChem CID121327737
Molecular FormulaC8H8I2N4
Molecular Weight413.99 g/mol
Exact Mass413.88
IUPAC Name(Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine
SMILES[H]/N=C(\C=N\C=C/I)C(=C/I)/N=C/C=N/[H]
InChIInChI=1S/C8H8I2N4/c9-1-3-13-6-7(12)8(5-10)14-4-2-11/h1-6,11-12H/b3-1-,8-5-,11-2+,12-7+,13-6+,14-4+
InChIKeyBCRPUNOORROALD-UEYQWDPZSA-N
XLogP2.98
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine
CID 89029602
N-(2-iminoethylidene)hydroxylamine
CID 163888658
(NE)-N-(2-iminoethylidene)hydroxylamine
CID 137207430
(2Z)-2-hydrazinylideneethanimine
CID 142835479
diazenyldiazene
CID 19878547
(1Z,3E)-N-butyl-1-[(E)-2-iminoethylideneamino]-4-(methylideneamino)-N-(2-methylpropyl)buta-1,3-dien-1-amine
CID 166539018
1-(aziridin-1-yl)-3-[(Z)-but-2-en-2-yl]imino-2-iminopropan-1-one
CID 171535034
N'-methylsulfanylethane-1,2-diimine
CID 173479897
(2-iminoethylideneamino) methanimidate
CID 54223769
2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide
CID 136966769
[(2-imino-3-oxopropanoyl)hydrazinylidene]tungsten
CID 140668977
(Z)-N-[(Z)-[(Z)-4-iminopent-2-enylidene]amino]-2-iodoethenamine
CID 88530905

Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine?
The IUPAC name of (Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine (CID 121327737) is (Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine.
What is the SMILES notation for (Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine?
The canonical SMILES for (Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine is [H]/N=C(\C=N\C=C/I)C(=C/I)/N=C/C=N/[H].
What is the InChIKey of (Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine?
The InChIKey is BCRPUNOORROALD-UEYQWDPZSA-N. The full InChI is InChI=1S/C8H8I2N4/c9-1-3-13-6-7(12)8(5-10)14-4-2-11/h1-6,11-12H/b3-1-,8-5-,11-2+,12-7+,13-6+,14-4+.
What are the key properties of (Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine?
(Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine has a molecular weight of 413.99 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine is sourced from PubChem (CID 121327737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).