(6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene

C13H18IN3 — CID 163892384

IUPAC(6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene
SMILES[H]/N=C(\C(C=C)=NNI)C(C=C)/C=C/C/C=C\C
InChIInChI=1S/C13H18IN3/c1-4-7-8-9-10-11(5-2)13(15)12(6-3)16-17-14/h4-7,9-11,15,17H,2-3,8H2,1H3/b7-4-,10-9+,15-13-,16-12?
InChIKeyOPJMPGHDNABWEU-UIAYZTQDSA-N
MW343.21 g/mol
LogP3.81
Rot. Bonds8

About (6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene

(6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene (PubChem CID 163892384) has the molecular formula C13H18IN3 and a molecular weight of 343.21 g/mol. Its IUPAC name is (6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene.

Molecular Properties

Compound Name(6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene
PubChem CID163892384
Molecular FormulaC13H18IN3
Molecular Weight343.21 g/mol
Exact Mass343.05
IUPAC Name(6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene
SMILES[H]/N=C(\C(C=C)=NNI)C(C=C)/C=C/C/C=C\C
InChIInChI=1S/C13H18IN3/c1-4-7-8-9-10-11(5-2)13(15)12(6-3)16-17-14/h4-7,9-11,15,17H,2-3,8H2,1H3/b7-4-,10-9+,15-13-,16-12?
InChIKeyOPJMPGHDNABWEU-UIAYZTQDSA-N
XLogP3.81
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylpropyl)cyclohexa-2,5-diene-1,4-diimine
CID 69932960
(Z)-[(4Z)-2,6-dimethylhepta-4,6-dien-3-ylidene]hydrazine
CID 89098775
2-Methyloct-5-en-4-imine
CID 90985822
(Z)-6-methylhept-2-en-4-imine
CID 91390862
(2Z)-6-methylnona-2,7-dien-4-imine
CID 91416730
4-Methylhept-5-en-2-imine
CID 91433524
(Z)-7-methyloct-5-en-4-imine
CID 123460754
5,6-Dimethylhept-2-en-4-imine
CID 123523897
(E)-(4,4,7,7-tetramethylcycloocta-2,5-dien-1-ylidene)hydrazine
CID 123583253
(Z)-6-ethyl-7-methyloct-4-en-3-imine
CID 123641858
4,7-Dimethylnon-5-en-2-imine
CID 123656908
1-(4,7-Dimethylcyclohepta-1,5-dien-1-yl)ethanimine
CID 123812115

Frequently Asked Questions

What is the IUPAC name of (6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene?
The IUPAC name of (6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene (CID 163892384) is (6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene.
What is the SMILES notation for (6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene?
The canonical SMILES for (6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene is [H]/N=C(\C(C=C)=NNI)C(C=C)/C=C/C/C=C\C.
What is the InChIKey of (6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene?
The InChIKey is OPJMPGHDNABWEU-UIAYZTQDSA-N. The full InChI is InChI=1S/C13H18IN3/c1-4-7-8-9-10-11(5-2)13(15)12(6-3)16-17-14/h4-7,9-11,15,17H,2-3,8H2,1H3/b7-4-,10-9+,15-13-,16-12?.
What are the key properties of (6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene?
(6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene has a molecular weight of 343.21 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9Z)-5-ethenyl-4-imino-3-(iodohydrazinylidene)undeca-1,6,9-triene is sourced from PubChem (CID 163892384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).