imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium

C8H11N2O+ — CID 6333930

IUPACimino-[(5E)-2-oxoocta-5,7-dienylidene]azanium
SMILESC=C/C=C/CCC(=O)C=[N+]=N
InChIInChI=1S/C8H11N2O/c1-2-3-4-5-6-8(11)7-10-9/h2-4,7,9H,1,5-6H2/q+1/b4-3+
InChIKeyLFTDUYNEVVKZRW-ONEGZZNKSA-N
MW151.19 g/mol
LogP1.39
Rot. Bonds5

About imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium

imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium (PubChem CID 6333930) has the molecular formula C8H11N2O+ and a molecular weight of 151.19 g/mol. Its IUPAC name is imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium.

Molecular Properties

Compound Nameimino-[(5E)-2-oxoocta-5,7-dienylidene]azanium
PubChem CID6333930
Molecular FormulaC8H11N2O+
Molecular Weight151.19 g/mol
Exact Mass151.09
IUPAC Nameimino-[(5E)-2-oxoocta-5,7-dienylidene]azanium
SMILESC=C/C=C/CCC(=O)C=[N+]=N
InChIInChI=1S/C8H11N2O/c1-2-3-4-5-6-8(11)7-10-9/h2-4,7,9H,1,5-6H2/q+1/b4-3+
InChIKeyLFTDUYNEVVKZRW-ONEGZZNKSA-N
XLogP1.39
TPSA55.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

dodeca-2,7,9,11-tetraen-4-one
CID 168893799
methyl hepta-4,6-dienoate
CID 53405107
trideca-5,7,10,12-tetraen-2-one
CID 175909143
(5E)-octa-5,7-dienamide
CID 15011834
undeca-8,10-diene-3,5-dione
CID 175508843
tetradeca-1,3-dien-7-one
CID 140791016
deca-7,9-dien-3-one
CID 141369431
sodium nona-6,8-dienoate
CID 161139818
N-hexa-3,5-dienylacetamide
CID 59663062
(2E,7E)-deca-2,7,9-trienoyl chloride
CID 11137814
(11Z)-tetradeca-11,13-dien-4-one
CID 141483115
ethyl (6Z)-nona-6,8-dienoate
CID 11001790

Frequently Asked Questions

What is the IUPAC name of imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium?
The IUPAC name of imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium (CID 6333930) is imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium.
What is the SMILES notation for imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium?
The canonical SMILES for imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium is C=C/C=C/CCC(=O)C=[N+]=N.
What is the InChIKey of imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium?
The InChIKey is LFTDUYNEVVKZRW-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H11N2O/c1-2-3-4-5-6-8(11)7-10-9/h2-4,7,9H,1,5-6H2/q+1/b4-3+.
What are the key properties of imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium?
imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium has a molecular weight of 151.19 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[(5E)-2-oxoocta-5,7-dienylidene]azanium is sourced from PubChem (CID 6333930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).