2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine

C9H18N4O — CID 62483334

IUPAC2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine
SMILESN/C(=N\C1CCN2CCCCC12)NO
InChIInChI=1S/C9H18N4O/c10-9(12-14)11-7-4-6-13-5-2-1-3-8(7)13/h7-8,14H,1-6H2,(H3,10,11,12)
InChIKeyYCOKELGXGALGEZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.09
Rot. Bonds1

About 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine (PubChem CID 62483334) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine
PubChem CID62483334
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine
SMILESN/C(=N\C1CCN2CCCCC12)NO
InChIInChI=1S/C9H18N4O/c10-9(12-14)11-7-4-6-13-5-2-1-3-8(7)13/h7-8,14H,1-6H2,(H3,10,11,12)
InChIKeyYCOKELGXGALGEZ-UHFFFAOYSA-N
XLogP-0.09
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide
CID 63177285
N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide
CID 63173030
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine
CID 62369893
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
1-amino-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-phenylguanidine
CID 116514258
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)oxyacetamide
CID 112672836
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide
CID 77031464
[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol
CID 114178522
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine?
The IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine (CID 62483334) is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine?
The canonical SMILES for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine is N/C(=N\C1CCN2CCCCC12)NO.
What is the InChIKey of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine?
The InChIKey is YCOKELGXGALGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c10-9(12-14)11-7-4-6-13-5-2-1-3-8(7)13/h7-8,14H,1-6H2,(H3,10,11,12).
What are the key properties of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine?
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine has a molecular weight of 198.27 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine is sourced from PubChem (CID 62483334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).