[(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene

C14H21IN2 — CID 145373801

IUPAC[(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene
SMILESCC/C=C\C(=C/CI)\N=N\C1C=CC(C)CC1
InChIInChI=1S/C14H21IN2/c1-3-4-5-13(10-11-15)16-17-14-8-6-12(2)7-9-14/h4-6,8,10,12,14H,3,7,9,11H2,1-2H3/b5-4-,13-10+,17-16+
InChIKeyHUXYUTSEELNHJQ-KBDWNFPASA-N
MW344.24 g/mol
LogP5.08
Rot. Bonds5

About [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene

[(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene (PubChem CID 145373801) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene.

Molecular Properties

Compound Name[(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene
PubChem CID145373801
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name[(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene
SMILESCC/C=C\C(=C/CI)\N=N\C1C=CC(C)CC1
InChIInChI=1S/C14H21IN2/c1-3-4-5-13(10-11-15)16-17-14-8-6-12(2)7-9-14/h4-6,8,10,12,14H,3,7,9,11H2,1-2H3/b5-4-,13-10+,17-16+
InChIKeyHUXYUTSEELNHJQ-KBDWNFPASA-N
XLogP5.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene 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 [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene?
The IUPAC name of [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene (CID 145373801) is [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene.
What is the SMILES notation for [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene?
The canonical SMILES for [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene is CC/C=C\C(=C/CI)\N=N\C1C=CC(C)CC1.
What is the InChIKey of [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene?
The InChIKey is HUXYUTSEELNHJQ-KBDWNFPASA-N. The full InChI is InChI=1S/C14H21IN2/c1-3-4-5-13(10-11-15)16-17-14-8-6-12(2)7-9-14/h4-6,8,10,12,14H,3,7,9,11H2,1-2H3/b5-4-,13-10+,17-16+.
What are the key properties of [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene?
[(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene has a molecular weight of 344.24 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-1-iodohepta-2,4-dien-3-yl]-(4-methylcyclohex-2-en-1-yl)diazene is sourced from PubChem (CID 145373801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).