[6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate

C11H15N3O3 — CID 135499213

IUPAC[6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(/C=N/O)nc1
InChIInChI=1S/C11H15N3O3/c1-3-14(4-2)11(15)17-10-6-5-9(7-13-16)12-8-10/h5-8,16H,3-4H2,1-2H3/b13-7+
InChIKeyAFJZELHSFWBABZ-NTUHNPAUSA-N
MW237.26 g/mol
LogP1.73
Rot. Bonds4

About [6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate

[6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate (PubChem CID 135499213) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate
PubChem CID135499213
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(/C=N/O)nc1
InChIInChI=1S/C11H15N3O3/c1-3-14(4-2)11(15)17-10-6-5-9(7-13-16)12-8-10/h5-8,16H,3-4H2,1-2H3/b13-7+
InChIKeyAFJZELHSFWBABZ-NTUHNPAUSA-N
XLogP1.73
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate?
The IUPAC name of [6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate (CID 135499213) is [6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate.
What is the SMILES notation for [6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate?
The canonical SMILES for [6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(/C=N/O)nc1.
What is the InChIKey of [6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate?
The InChIKey is AFJZELHSFWBABZ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-14(4-2)11(15)17-10-6-5-9(7-13-16)12-8-10/h5-8,16H,3-4H2,1-2H3/b13-7+.
What are the key properties of [6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate?
[6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate has a molecular weight of 237.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(E)-hydroxyiminomethyl]-3-pyridinyl] N,N-diethylcarbamate is sourced from PubChem (CID 135499213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).