trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium

C11H17N4O+ — CID 117061078

IUPACtrimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium
SMILESC[N+](C)(C)CC(=O)N/N=C/c1ccccn1
InChIInChI=1S/C11H16N4O/c1-15(2,3)9-11(16)14-13-8-10-6-4-5-7-12-10/h4-8H,9H2,1-3H3/p+1
InChIKeyDQSNXLQZLFKDAM-UHFFFAOYSA-O
MW221.28 g/mol
LogP0.24
Rot. Bonds4

About trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium

trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium (PubChem CID 117061078) has the molecular formula C11H17N4O+ and a molecular weight of 221.28 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium
PubChem CID117061078
Molecular FormulaC11H17N4O+
Molecular Weight221.28 g/mol
Exact Mass221.14
IUPAC Nametrimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium
SMILESC[N+](C)(C)CC(=O)N/N=C/c1ccccn1
InChIInChI=1S/C11H16N4O/c1-15(2,3)9-11(16)14-13-8-10-6-4-5-7-12-10/h4-8H,9H2,1-3H3/p+1
InChIKeyDQSNXLQZLFKDAM-UHFFFAOYSA-O
XLogP0.24
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium (CID 117061078) is trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium is C[N+](C)(C)CC(=O)N/N=C/c1ccccn1.
What is the InChIKey of trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium?
The InChIKey is DQSNXLQZLFKDAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N4O/c1-15(2,3)9-11(16)14-13-8-10-6-4-5-7-12-10/h4-8H,9H2,1-3H3/p+1.
What are the key properties of trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium?
trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium has a molecular weight of 221.28 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium is sourced from PubChem (CID 117061078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).