2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide

C10H19N3O2 — CID 76917383

IUPAC2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide
SMILESNC(CN1CCOC2CCCCC21)=NO
InChIInChI=1S/C10H19N3O2/c11-10(12-14)7-13-5-6-15-9-4-2-1-3-8(9)13/h8-9,14H,1-7H2,(H2,11,12)
InChIKeyFJTNEZLOCZYFEW-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.38
Rot. Bonds2

About 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide

2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide (PubChem CID 76917383) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide
PubChem CID76917383
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide
SMILESNC(CN1CCOC2CCCCC21)=NO
InChIInChI=1S/C10H19N3O2/c11-10(12-14)7-13-5-6-15-9-4-2-1-3-8(9)13/h8-9,14H,1-7H2,(H2,11,12)
InChIKeyFJTNEZLOCZYFEW-UHFFFAOYSA-N
XLogP0.38
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide (CID 76917383) is 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide is NC(CN1CCOC2CCCCC21)=NO.
What is the InChIKey of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide?
The InChIKey is FJTNEZLOCZYFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-10(12-14)7-13-5-6-15-9-4-2-1-3-8(9)13/h8-9,14H,1-7H2,(H2,11,12).
What are the key properties of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide?
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide has a molecular weight of 213.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 76917383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).