5-oxa-1-azaspiro[2.3]hexane

C4H7NO — CID 154013605

IUPAC5-oxa-1-azaspiro[2.3]hexane
SMILESC1NC12COC2
InChIInChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2
InChIKeyGLAZKGJJIDWCDN-UHFFFAOYSA-N
MW85.11 g/mol
LogP-0.64
Rot. Bonds

About 5-oxa-1-azaspiro[2.3]hexane

5-oxa-1-azaspiro[2.3]hexane (PubChem CID 154013605) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 5-oxa-1-azaspiro[2.3]hexane.

Molecular Properties

Compound Name5-oxa-1-azaspiro[2.3]hexane
PubChem CID154013605
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name5-oxa-1-azaspiro[2.3]hexane
SMILESC1NC12COC2
InChIInChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2
InChIKeyGLAZKGJJIDWCDN-UHFFFAOYSA-N
XLogP-0.64
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-oxa-1-azaspiro[2.3]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxa-5-azaspiro[3.4]octane
CID 54759126
2-oxa-5-azaspiro[3.4]octane;hydrochloride
CID 163197887
methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate
CID 162342184
2-oxa-5,8-diazaspiro[3.7]undecane
CID 118210062
8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane
CID 155893439
7-oxa-4-azaspiro[2.5]octane;hydrochloride
CID 22342972
10-oxa-1,7-diazaspiro[4.6]undecane
CID 118210142
7,10-dioxa-1-azaspiro[4.6]undecane
CID 118210203
8-oxa-4-azaspiro[2.6]nonane;hydrochloride
CID 119031117
2,10-dioxa-6-azaspiro[4.6]undecane
CID 118209581
1,5,8-triazaspiro[2.6]nonane
CID 23135285
6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene
CID 126672058

Frequently Asked Questions

What is the IUPAC name of 5-oxa-1-azaspiro[2.3]hexane?
The IUPAC name of 5-oxa-1-azaspiro[2.3]hexane (CID 154013605) is 5-oxa-1-azaspiro[2.3]hexane.
What is the SMILES notation for 5-oxa-1-azaspiro[2.3]hexane?
The canonical SMILES for 5-oxa-1-azaspiro[2.3]hexane is C1NC12COC2.
What is the InChIKey of 5-oxa-1-azaspiro[2.3]hexane?
The InChIKey is GLAZKGJJIDWCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2.
What are the key properties of 5-oxa-1-azaspiro[2.3]hexane?
5-oxa-1-azaspiro[2.3]hexane has a molecular weight of 85.11 g/mol, XLogP of -0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-1-azaspiro[2.3]hexane is sourced from PubChem (CID 154013605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).