(Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine

C10H14N2O2 — CID 6507114

IUPAC(Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine
SMILESCCCO/N=C(/C)c1cc[n+]([O-])cc1
InChIInChI=1S/C10H14N2O2/c1-3-8-14-11-9(2)10-4-6-12(13)7-5-10/h4-7H,3,8H2,1-2H3/b11-9-
InChIKeyHIQRMXHBWDKULN-LUAWRHEFSA-N
MW194.23 g/mol
LogP1.47
Rot. Bonds4

About (Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine

(Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine (PubChem CID 6507114) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine.

Molecular Properties

Compound Name(Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine
PubChem CID6507114
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine
SMILESCCCO/N=C(/C)c1cc[n+]([O-])cc1
InChIInChI=1S/C10H14N2O2/c1-3-8-14-11-9(2)10-4-6-12(13)7-5-10/h4-7H,3,8H2,1-2H3/b11-9-
InChIKeyHIQRMXHBWDKULN-LUAWRHEFSA-N
XLogP1.47
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine?
The IUPAC name of (Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine (CID 6507114) is (Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine.
What is the SMILES notation for (Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine?
The canonical SMILES for (Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine is CCCO/N=C(/C)c1cc[n+]([O-])cc1.
What is the InChIKey of (Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine?
The InChIKey is HIQRMXHBWDKULN-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-8-14-11-9(2)10-4-6-12(13)7-5-10/h4-7H,3,8H2,1-2H3/b11-9-.
What are the key properties of (Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine?
(Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine has a molecular weight of 194.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxyethanimine is sourced from PubChem (CID 6507114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).