(2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide

C9H17N3O — CID 95240707

IUPAC(2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide
SMILESN/C(=N/O)[C@@H]1C[C@@H]2CCCCN2C1
InChIInChI=1S/C9H17N3O/c10-9(11-13)7-5-8-3-1-2-4-12(8)6-7/h7-8,13H,1-6H2,(H2,10,11)/t7-,8+/m1/s1
InChIKeyFWGLLTZMNGADSQ-SFYZADRCSA-N
MW183.25 g/mol
LogP0.61
Rot. Bonds1

About (2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide

(2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide (PubChem CID 95240707) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide.

Molecular Properties

Compound Name(2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide
PubChem CID95240707
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide
SMILESN/C(=N/O)[C@@H]1C[C@@H]2CCCCN2C1
InChIInChI=1S/C9H17N3O/c10-9(11-13)7-5-8-3-1-2-4-12(8)6-7/h7-8,13H,1-6H2,(H2,10,11)/t7-,8+/m1/s1
InChIKeyFWGLLTZMNGADSQ-SFYZADRCSA-N
XLogP0.61
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.61
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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Related Compounds

(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 95240709
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-2-carbothioamide
CID 18941091
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
N'-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboximidamide
CID 126972516
1-cyclopentyl-N'-hydroxypiperidine-2-carboximidamide
CID 77041915
1-azabicyclo[9.1.0]dodecane
CID 87228787
N'-hydroxy-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)cyclopropane-1-carboximidamide
CID 80594653
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
CID 165477842
N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide
CID 79925192
(3R)-1-[(1R,3R)-3-methylcyclopentyl]piperidine-3-carboxamide
CID 30979824
1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
CID 154733807
2-(3,4-dimethylcyclohexyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926802

Frequently Asked Questions

What is the IUPAC name of (2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide?
The IUPAC name of (2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide (CID 95240707) is (2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide.
What is the SMILES notation for (2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide?
The canonical SMILES for (2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide is N/C(=N/O)[C@@H]1C[C@@H]2CCCCN2C1.
What is the InChIKey of (2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide?
The InChIKey is FWGLLTZMNGADSQ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17N3O/c10-9(11-13)7-5-8-3-1-2-4-12(8)6-7/h7-8,13H,1-6H2,(H2,10,11)/t7-,8+/m1/s1.
What are the key properties of (2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide?
(2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide has a molecular weight of 183.25 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide is sourced from PubChem (CID 95240707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).