2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide

C5H8N4O — CID 156544662

IUPAC2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide
SMILES[H]/N=C(\N)N1CC2(C1)NC2=O
InChIInChI=1S/C5H8N4O/c6-4(7)9-1-5(2-9)3(10)8-5/h1-2H2,(H3,6,7)(H,8,10)
InChIKeyPSEMJXKDERHESJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.94
Rot. Bonds

About 2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide

2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide (PubChem CID 156544662) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide.

Molecular Properties

Compound Name2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide
PubChem CID156544662
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide
SMILES[H]/N=C(\N)N1CC2(C1)NC2=O
InChIInChI=1S/C5H8N4O/c6-4(7)9-1-5(2-9)3(10)8-5/h1-2H2,(H3,6,7)(H,8,10)
InChIKeyPSEMJXKDERHESJ-UHFFFAOYSA-N
XLogP-1.94
TPSA92.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 19089226
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CID 170386391
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CID 170084954
7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide
CID 90644921
3-oxopiperazine-1-carboximidamide;hydrochloride
CID 135397176
3,3-difluoropyrrolidine-1-carboximidamide
CID 121200791
2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide
CID 54027278
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
2-oxoazetidine-1-carboximidamide
CID 118484842
(3aR,6aS)-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2-carboximidamide
CID 129495938
(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide
CID 45088464
1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
CID 123572540

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide?
The IUPAC name of 2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide (CID 156544662) is 2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide.
What is the SMILES notation for 2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide?
The canonical SMILES for 2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide is [H]/N=C(\N)N1CC2(C1)NC2=O.
What is the InChIKey of 2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide?
The InChIKey is PSEMJXKDERHESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-4(7)9-1-5(2-9)3(10)8-5/h1-2H2,(H3,6,7)(H,8,10).
What are the key properties of 2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide?
2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide has a molecular weight of 140.15 g/mol, XLogP of -1.94, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide is sourced from PubChem (CID 156544662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).