2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane

C18H25NO — CID 79972113

IUPAC2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane
SMILESc1ccc(C2CNCC3(CCCCC3)O2)c(C2CC2)c1
InChIInChI=1S/C18H25NO/c1-4-10-18(11-5-1)13-19-12-17(20-18)16-7-3-2-6-15(16)14-8-9-14/h2-3,6-7,14,17,19H,1,4-5,8-13H2
InChIKeyVZUHZMBCISRURG-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.93
Rot. Bonds2

About 2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane

2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 79972113) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane
PubChem CID79972113
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane
SMILESc1ccc(C2CNCC3(CCCCC3)O2)c(C2CC2)c1
InChIInChI=1S/C18H25NO/c1-4-10-18(11-5-1)13-19-12-17(20-18)16-7-3-2-6-15(16)14-8-9-14/h2-3,6-7,14,17,19H,1,4-5,8-13H2
InChIKeyVZUHZMBCISRURG-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane (CID 79972113) is 2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane is c1ccc(C2CNCC3(CCCCC3)O2)c(C2CC2)c1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is VZUHZMBCISRURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-10-18(11-5-1)13-19-12-17(20-18)16-7-3-2-6-15(16)14-8-9-14/h2-3,6-7,14,17,19H,1,4-5,8-13H2.
What are the key properties of 2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane?
2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 271.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 79972113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).