4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane

C13H23NO2 — CID 86820393

IUPAC4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane
SMILESC1CC2(CCN1)CC(OCC1CC1)CCO2
InChIInChI=1S/C13H23NO2/c1-2-11(1)10-15-12-3-8-16-13(9-12)4-6-14-7-5-13/h11-12,14H,1-10H2
InChIKeyYBZPZCSLOSTNFC-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.71
Rot. Bonds3

About 4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane

4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 86820393) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane
PubChem CID86820393
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane
SMILESC1CC2(CCN1)CC(OCC1CC1)CCO2
InChIInChI=1S/C13H23NO2/c1-2-11(1)10-15-12-3-8-16-13(9-12)4-6-14-7-5-13/h11-12,14H,1-10H2
InChIKeyYBZPZCSLOSTNFC-UHFFFAOYSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane (CID 86820393) is 4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane is C1CC2(CCN1)CC(OCC1CC1)CCO2.
What is the InChIKey of 4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is YBZPZCSLOSTNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-11(1)10-15-12-3-8-16-13(9-12)4-6-14-7-5-13/h11-12,14H,1-10H2.
What are the key properties of 4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane?
4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 225.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 86820393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).