[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium

C16H25N2O2+ — CID 88938120

IUPAC[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium
SMILESC/C=C(/C=[N+](C)/C=C(O)/C(=C\C)/C=N/C)C(O)=C(C)C
InChIInChI=1S/C16H24N2O2/c1-7-13(9-17-5)15(19)11-18(6)10-14(8-2)16(20)12(3)4/h7-11H,1-6H3,(H-,19,20)/p+1/b13-7-,14-8-,15-11-,17-9+,18-10+
InChIKeyUSESHQYSEVGOKR-PUNRKOOYSA-O
MW277.39 g/mol
LogP3.54
Rot. Bonds5

About [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium

[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium (PubChem CID 88938120) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium.

Molecular Properties

Compound Name[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium
PubChem CID88938120
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC Name[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium
SMILESC/C=C(/C=[N+](C)/C=C(O)/C(=C\C)/C=N/C)C(O)=C(C)C
InChIInChI=1S/C16H24N2O2/c1-7-13(9-17-5)15(19)11-18(6)10-14(8-2)16(20)12(3)4/h7-11H,1-6H3,(H-,19,20)/p+1/b13-7-,14-8-,15-11-,17-9+,18-10+
InChIKeyUSESHQYSEVGOKR-PUNRKOOYSA-O
XLogP3.54
TPSA55.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-[[(1E,3Z)-2-hydroxy-3-methanimidoylpenta-1,3-dienyl]iminomethyl]-2-methylhexa-2,4-dien-3-ol
CID 88915912
(4Z)-4-[[[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazaniumylidene]methyl]-2-methylhexa-2,4-dien-3-olate
CID 88938119
ethane;[(Z)-2-[2-[[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]amino]-1-hydroxyethenyl]but-2-enylidene]azanium
CID 123283256
(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol;ethane
CID 123572869
(3E,5Z)-5-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hepta-1,3,5-trien-4-ol
CID 143182631
4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol
CID 145217000
(4Z)-4-[[(3Z)-2-hydroxy-3-methanimidoylpenta-1,3-dienyl]iminomethyl]-2-methylhexa-2,4-dien-3-ol
CID 123283257
(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol
CID 123572870
(3E)-3-(aminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol
CID 177405657
(3E)-3-(dimethylaminomethylidene)-5-(methyliminomethyl)cyclopenta-1,4-dien-1-ol
CID 177550045

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium?
The IUPAC name of [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium (CID 88938120) is [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium.
What is the SMILES notation for [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium?
The canonical SMILES for [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium is C/C=C(/C=[N+](C)/C=C(O)/C(=C\C)/C=N/C)C(O)=C(C)C.
What is the InChIKey of [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium?
The InChIKey is USESHQYSEVGOKR-PUNRKOOYSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-7-13(9-17-5)15(19)11-18(6)10-14(8-2)16(20)12(3)4/h7-11H,1-6H3,(H-,19,20)/p+1/b13-7-,14-8-,15-11-,17-9+,18-10+.
What are the key properties of [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium?
[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium has a molecular weight of 277.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]-[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazanium is sourced from PubChem (CID 88938120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).