2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine

C7H13N3O — CID 130948688

IUPAC2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine
SMILESNC(N)=NCC1C2COCC12
InChIInChI=1S/C7H13N3O/c8-7(9)10-1-4-5-2-11-3-6(4)5/h4-6H,1-3H2,(H4,8,9,10)
InChIKeyZGXMOSMVYJCYBI-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.85
Rot. Bonds2

About 2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine

2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine (PubChem CID 130948688) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine
PubChem CID130948688
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine
SMILESNC(N)=NCC1C2COCC12
InChIInChI=1S/C7H13N3O/c8-7(9)10-1-4-5-2-11-3-6(4)5/h4-6H,1-3H2,(H4,8,9,10)
InChIKeyZGXMOSMVYJCYBI-UHFFFAOYSA-N
XLogP-0.85
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxolan-4-ylmethyl)guanidine
CID 159103052
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 55285236
2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]guanidine
CID 45356255
trans-(1S,2R)-1-amino-2-[(diaminomethylideneamino)methyl]cyclopropane-1-carboxylic acid
CID 162853254
3-oxabicyclo[3.1.0]hexan-6-amine
CID 52988031
2-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]guanidine;hydroiodide
CID 130921427
1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine
CID 83036120
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-[[(2S)-piperidin-2-yl]methyl]guanidine
CID 129452487
2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 55134240
N'-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carboximidamide
CID 131062553
4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylic acid
CID 3726379

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine?
The IUPAC name of 2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine (CID 130948688) is 2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine.
What is the SMILES notation for 2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine?
The canonical SMILES for 2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine is NC(N)=NCC1C2COCC12.
What is the InChIKey of 2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine?
The InChIKey is ZGXMOSMVYJCYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-7(9)10-1-4-5-2-11-3-6(4)5/h4-6H,1-3H2,(H4,8,9,10).
What are the key properties of 2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine?
2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine has a molecular weight of 155.20 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)guanidine is sourced from PubChem (CID 130948688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).