N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide

C11H21N3O3 — CID 121203822

IUPACN'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide
SMILESN/C(CN1CCCC2(CC(O)CCO2)C1)=N\O
InChIInChI=1S/C11H21N3O3/c12-10(13-16)7-14-4-1-3-11(8-14)6-9(15)2-5-17-11/h9,15-16H,1-8H2,(H2,12,13)
InChIKeyQAHQZNZOUXFWJR-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.26
Rot. Bonds2

About N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide

N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide (PubChem CID 121203822) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide
PubChem CID121203822
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide
SMILESN/C(CN1CCCC2(CC(O)CCO2)C1)=N\O
InChIInChI=1S/C11H21N3O3/c12-10(13-16)7-14-4-1-3-11(8-14)6-9(15)2-5-17-11/h9,15-16H,1-8H2,(H2,12,13)
InChIKeyQAHQZNZOUXFWJR-UHFFFAOYSA-N
XLogP-0.26
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide (CID 121203822) is N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide is N/C(CN1CCCC2(CC(O)CCO2)C1)=N\O.
What is the InChIKey of N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide?
The InChIKey is QAHQZNZOUXFWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-10(13-16)7-14-4-1-3-11(8-14)6-9(15)2-5-17-11/h9,15-16H,1-8H2,(H2,12,13).
What are the key properties of N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide?
N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide has a molecular weight of 243.31 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl)ethanimidamide is sourced from PubChem (CID 121203822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).