N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide

C8H15N3O2 — CID 76944258

IUPACN'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESNC(=NO)N1CCOC2CCCC21
InChIInChI=1S/C8H15N3O2/c9-8(10-12)11-4-5-13-7-3-1-2-6(7)11/h6-7,12H,1-5H2,(H2,9,10)
InChIKeyWEYLPMKEWMBVAK-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.06
Rot. Bonds

About N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide

N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (PubChem CID 76944258) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
PubChem CID76944258
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide
SMILESNC(=NO)N1CCOC2CCCC21
InChIInChI=1S/C8H15N3O2/c9-8(10-12)11-4-5-13-7-3-1-2-6(7)11/h6-7,12H,1-5H2,(H2,9,10)
InChIKeyWEYLPMKEWMBVAK-UHFFFAOYSA-N
XLogP-0.06
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide (CID 76944258) is N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is NC(=NO)N1CCOC2CCCC21.
What is the InChIKey of N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
The InChIKey is WEYLPMKEWMBVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-8(10-12)11-4-5-13-7-3-1-2-6(7)11/h6-7,12H,1-5H2,(H2,9,10).
What are the key properties of N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide?
N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide has a molecular weight of 185.23 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboximidamide is sourced from PubChem (CID 76944258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).