5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide

C13H18N4O2 — CID 136990594

IUPAC5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(N2CCOC3CCCC32)cn1
InChIInChI=1S/C13H18N4O2/c14-13(16-18)10-5-4-9(8-15-10)17-6-7-19-12-3-1-2-11(12)17/h4-5,8,11-12,18H,1-3,6-7H2,(H2,14,16)
InChIKeyULJPGRRRNJRYOR-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.93
Rot. Bonds2

About 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990594) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990594
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(N2CCOC3CCCC32)cn1
InChIInChI=1S/C13H18N4O2/c14-13(16-18)10-5-4-9(8-15-10)17-6-7-19-12-3-1-2-11(12)17/h4-5,8,11-12,18H,1-3,6-7H2,(H2,14,16)
InChIKeyULJPGRRRNJRYOR-UHFFFAOYSA-N
XLogP0.93
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
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 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136990594) is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1ccc(N2CCOC3CCCC32)cn1.
What is the InChIKey of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is ULJPGRRRNJRYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-13(16-18)10-5-4-9(8-15-10)17-6-7-19-12-3-1-2-11(12)17/h4-5,8,11-12,18H,1-3,6-7H2,(H2,14,16).
What are the key properties of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide?
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 262.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).