[(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium

C8H14NO3+ — CID 143200718

IUPAC[(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium
SMILESCC/C(C=COOOC)=C/C=[NH2+]
InChIInChI=1S/C8H13NO3/c1-3-8(4-6-9)5-7-11-12-10-2/h4-7,9H,3H2,1-2H3/p+1/b7-5?,8-4-,9-6?
InChIKeyYXAFMEFOTYJSEZ-VKGMRPNKSA-O
MW172.20 g/mol
LogP0.18
Rot. Bonds6

About [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium

[(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium (PubChem CID 143200718) has the molecular formula C8H14NO3+ and a molecular weight of 172.20 g/mol. Its IUPAC name is [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium.

Molecular Properties

Compound Name[(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium
PubChem CID143200718
Molecular FormulaC8H14NO3+
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name[(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium
SMILESCC/C(C=COOOC)=C/C=[NH2+]
InChIInChI=1S/C8H13NO3/c1-3-8(4-6-9)5-7-11-12-10-2/h4-7,9H,3H2,1-2H3/p+1/b7-5?,8-4-,9-6?
InChIKeyYXAFMEFOTYJSEZ-VKGMRPNKSA-O
XLogP0.18
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium 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 [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium?
The IUPAC name of [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium (CID 143200718) is [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium.
What is the SMILES notation for [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium?
The canonical SMILES for [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium is CC/C(C=COOOC)=C/C=[NH2+].
What is the InChIKey of [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium?
The InChIKey is YXAFMEFOTYJSEZ-VKGMRPNKSA-O. The full InChI is InChI=1S/C8H13NO3/c1-3-8(4-6-9)5-7-11-12-10-2/h4-7,9H,3H2,1-2H3/p+1/b7-5?,8-4-,9-6?.
What are the key properties of [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium?
[(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium has a molecular weight of 172.20 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3-ethyl-5-methoxyperoxypenta-2,4-dienylidene]azanium is sourced from PubChem (CID 143200718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).