[(Z)-4-iminohex-2-en-2-yl]oxidanium

C6H12NO+ — CID 143043472

IUPAC[(Z)-4-iminohex-2-en-2-yl]oxidanium
SMILES[H]/N=C(/C=C(/C)[OH2+])CC
InChIInChI=1S/C6H11NO/c1-3-6(7)4-5(2)8/h4,7-8H,3H2,1-2H3/p+1/b5-4-,7-6+
InChIKeyXQPYNMUOTKSEOD-SCFJQAPRSA-O
MW114.17 g/mol
LogP1.04
Rot. Bonds2

About [(Z)-4-iminohex-2-en-2-yl]oxidanium

[(Z)-4-iminohex-2-en-2-yl]oxidanium (PubChem CID 143043472) has the molecular formula C6H12NO+ and a molecular weight of 114.17 g/mol. Its IUPAC name is [(Z)-4-iminohex-2-en-2-yl]oxidanium.

Molecular Properties

Compound Name[(Z)-4-iminohex-2-en-2-yl]oxidanium
PubChem CID143043472
Molecular FormulaC6H12NO+
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name[(Z)-4-iminohex-2-en-2-yl]oxidanium
SMILES[H]/N=C(/C=C(/C)[OH2+])CC
InChIInChI=1S/C6H11NO/c1-3-6(7)4-5(2)8/h4,7-8H,3H2,1-2H3/p+1/b5-4-,7-6+
InChIKeyXQPYNMUOTKSEOD-SCFJQAPRSA-O
XLogP1.04
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-iminopent-2-en-2-olate
CID 58104794
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
[(Z)-4-imino-3-methylpent-2-en-2-yl]oxidanium
CID 141861202
[(2Z)-3-ethanimidoylpenta-2,4-dien-2-yl]oxidanium
CID 141904197
[(Z)-4-iminopent-2-en-2-yl]oxidanium
CID 143658651
(Z)-4-imino-5-methylhex-2-en-2-olate
CID 143707882
(E)-5-iminohept-3-en-4-ol
CID 163982995
(E)-4-iminopent-2-en-3-ol;pent-1-ene
CID 165128744
(E)-5-methoxyhept-4-en-3-imine
CID 169683442
(E)-4-iminopent-2-en-3-ol
CID 165128745
(Z)-5-iminohex-3-en-3-olate
CID 177418479

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-iminohex-2-en-2-yl]oxidanium?
The IUPAC name of [(Z)-4-iminohex-2-en-2-yl]oxidanium (CID 143043472) is [(Z)-4-iminohex-2-en-2-yl]oxidanium.
What is the SMILES notation for [(Z)-4-iminohex-2-en-2-yl]oxidanium?
The canonical SMILES for [(Z)-4-iminohex-2-en-2-yl]oxidanium is [H]/N=C(/C=C(/C)[OH2+])CC.
What is the InChIKey of [(Z)-4-iminohex-2-en-2-yl]oxidanium?
The InChIKey is XQPYNMUOTKSEOD-SCFJQAPRSA-O. The full InChI is InChI=1S/C6H11NO/c1-3-6(7)4-5(2)8/h4,7-8H,3H2,1-2H3/p+1/b5-4-,7-6+.
What are the key properties of [(Z)-4-iminohex-2-en-2-yl]oxidanium?
[(Z)-4-iminohex-2-en-2-yl]oxidanium has a molecular weight of 114.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-iminohex-2-en-2-yl]oxidanium is sourced from PubChem (CID 143043472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).