1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine

C7H13N3O2 — CID 80733007

IUPAC1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine
SMILESN/C(=N\C1CC2CCC1O2)NO
InChIInChI=1S/C7H13N3O2/c8-7(10-11)9-5-3-4-1-2-6(5)12-4/h4-6,11H,1-3H2,(H3,8,9,10)
InChIKeyPZGOFNIXBSNRHL-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.40
Rot. Bonds1

About 1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine

1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine (PubChem CID 80733007) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine.

Molecular Properties

Compound Name1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine
PubChem CID80733007
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine
SMILESN/C(=N\C1CC2CCC1O2)NO
InChIInChI=1S/C7H13N3O2/c8-7(10-11)9-5-3-4-1-2-6(5)12-4/h4-6,11H,1-3H2,(H3,8,9,10)
InChIKeyPZGOFNIXBSNRHL-UHFFFAOYSA-N
XLogP-0.40
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.40
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

2,2-dimethyl-N'-(7-oxabicyclo[2.2.1]heptan-2-yl)propanimidamide
CID 80732154
N'-(8-oxabicyclo[3.2.1]octan-2-yl)butanimidamide
CID 130802880
(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 73357616
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
2-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]guanidine;hydroiodide
CID 130921427
N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide
CID 80719367
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
1-hydroxy-2-(4-methylcyclohexyl)guanidine
CID 62481066
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
methyl 2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclobutane-1-carboxylate
CID 136542022
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
2-methyl-N'-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanimidamide
CID 130505243

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine?
The IUPAC name of 1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine (CID 80733007) is 1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine.
What is the SMILES notation for 1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine?
The canonical SMILES for 1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine is N/C(=N\C1CC2CCC1O2)NO.
What is the InChIKey of 1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine?
The InChIKey is PZGOFNIXBSNRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-7(10-11)9-5-3-4-1-2-6(5)12-4/h4-6,11H,1-3H2,(H3,8,9,10).
What are the key properties of 1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine?
1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine has a molecular weight of 171.20 g/mol, XLogP of -0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine is sourced from PubChem (CID 80733007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).