N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine

C6H7ClIN — CID 167167541

IUPACN-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine
SMILESC=N/C(Cl)=C\C=C(/C)I
InChIInChI=1S/C6H7ClIN/c1-5(8)3-4-6(7)9-2/h3-4H,2H2,1H3/b5-3+,6-4-
InChIKeyUTJVKFRSSWEJEM-UZNMPDEFSA-N
MW255.49 g/mol
LogP3.11
Rot. Bonds2

About N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine

N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine (PubChem CID 167167541) has the molecular formula C6H7ClIN and a molecular weight of 255.49 g/mol. Its IUPAC name is N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine
PubChem CID167167541
Molecular FormulaC6H7ClIN
Molecular Weight255.49 g/mol
Exact Mass254.93
IUPAC NameN-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine
SMILESC=N/C(Cl)=C\C=C(/C)I
InChIInChI=1S/C6H7ClIN/c1-5(8)3-4-6(7)9-2/h3-4H,2H2,1H3/b5-3+,6-4-
InChIKeyUTJVKFRSSWEJEM-UZNMPDEFSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1E,3E)-1-chloro-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]methanimine
CID 126510662
2,5-diiodohexa-2,4-diene
CID 71319210
N-[(1E,3E)-1-chloro-4-isocyanatopenta-1,3-dienyl]methanimine
CID 134361316
(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 162565488
(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
CID 89064716
N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine
CID 167253000
(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene
CID 122521311
N-[(1E,3Z)-1-iodopenta-1,3-dienyl]methanimine
CID 163860981
(2E,4E)-2-chloro-4-iodohexa-2,4-diene
CID 163726069
N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine
CID 178148977
2-chloro-1-(2-chloroprop-1-enoxy)prop-1-ene
CID 140516361
N-hydroxyethanimidoyl iodide
CID 173361883

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine (CID 167167541) is N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine is C=N/C(Cl)=C\C=C(/C)I.
What is the InChIKey of N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine?
The InChIKey is UTJVKFRSSWEJEM-UZNMPDEFSA-N. The full InChI is InChI=1S/C6H7ClIN/c1-5(8)3-4-6(7)9-2/h3-4H,2H2,1H3/b5-3+,6-4-.
What are the key properties of N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine?
N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine has a molecular weight of 255.49 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine is sourced from PubChem (CID 167167541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).