9-oxa-4-azabicyclo[6.1.0]nonane

C7H13NO — CID 91080270

IUPAC9-oxa-4-azabicyclo[6.1.0]nonane
SMILESC1CNCCC2OC2C1
InChIInChI=1S/C7H13NO/c1-2-6-7(9-6)3-5-8-4-1/h6-8H,1-5H2
InChIKeyOMFIIHVEIWFSNY-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds

About 9-oxa-4-azabicyclo[6.1.0]nonane

9-oxa-4-azabicyclo[6.1.0]nonane (PubChem CID 91080270) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 9-oxa-4-azabicyclo[6.1.0]nonane.

Molecular Properties

Compound Name9-oxa-4-azabicyclo[6.1.0]nonane
PubChem CID91080270
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name9-oxa-4-azabicyclo[6.1.0]nonane
SMILESC1CNCCC2OC2C1
InChIInChI=1S/C7H13NO/c1-2-6-7(9-6)3-5-8-4-1/h6-8H,1-5H2
InChIKeyOMFIIHVEIWFSNY-UHFFFAOYSA-N
XLogP0.53
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
sodium;hydride;7-oxabicyclo[4.1.0]heptane
CID 173104764
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
7-oxabicyclo[4.1.0]heptane;oxirane
CID 131984165
4-chloroazepane
CID 21287479
4-iodoazepane
CID 134312732
azepan-4-amine;dihydrochloride
CID 118989390
1,4-dioxane;7-oxabicyclo[4.1.0]heptane
CID 174406152

Frequently Asked Questions

What is the IUPAC name of 9-oxa-4-azabicyclo[6.1.0]nonane?
The IUPAC name of 9-oxa-4-azabicyclo[6.1.0]nonane (CID 91080270) is 9-oxa-4-azabicyclo[6.1.0]nonane.
What is the SMILES notation for 9-oxa-4-azabicyclo[6.1.0]nonane?
The canonical SMILES for 9-oxa-4-azabicyclo[6.1.0]nonane is C1CNCCC2OC2C1.
What is the InChIKey of 9-oxa-4-azabicyclo[6.1.0]nonane?
The InChIKey is OMFIIHVEIWFSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-6-7(9-6)3-5-8-4-1/h6-8H,1-5H2.
What are the key properties of 9-oxa-4-azabicyclo[6.1.0]nonane?
9-oxa-4-azabicyclo[6.1.0]nonane has a molecular weight of 127.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-4-azabicyclo[6.1.0]nonane is sourced from PubChem (CID 91080270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).