(Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine

C10H15IN2 — CID 88874601

IUPAC(Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine
SMILESC=C(C)/N=C/C(N=C(C)C)=C(\C)I
InChIInChI=1S/C10H15IN2/c1-7(2)12-6-10(9(5)11)13-8(3)4/h6H,1H2,2-5H3/b10-9-,12-6+
InChIKeyDHAGVJSWCKWEHK-MTBRRYQKSA-N
MW290.15 g/mol
LogP3.74
Rot. Bonds3

About (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine

(Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine (PubChem CID 88874601) has the molecular formula C10H15IN2 and a molecular weight of 290.15 g/mol. Its IUPAC name is (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine.

Molecular Properties

Compound Name(Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine
PubChem CID88874601
Molecular FormulaC10H15IN2
Molecular Weight290.15 g/mol
Exact Mass290.03
IUPAC Name(Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine
SMILESC=C(C)/N=C/C(N=C(C)C)=C(\C)I
InChIInChI=1S/C10H15IN2/c1-7(2)12-6-10(9(5)11)13-8(3)4/h6H,1H2,2-5H3/b10-9-,12-6+
InChIKeyDHAGVJSWCKWEHK-MTBRRYQKSA-N
XLogP3.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine?
The IUPAC name of (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine (CID 88874601) is (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine.
What is the SMILES notation for (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine?
The canonical SMILES for (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine is C=C(C)/N=C/C(N=C(C)C)=C(\C)I.
What is the InChIKey of (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine?
The InChIKey is DHAGVJSWCKWEHK-MTBRRYQKSA-N. The full InChI is InChI=1S/C10H15IN2/c1-7(2)12-6-10(9(5)11)13-8(3)4/h6H,1H2,2-5H3/b10-9-,12-6+.
What are the key properties of (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine?
(Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine has a molecular weight of 290.15 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine is sourced from PubChem (CID 88874601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).