(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane

C14H19NO — CID 124703511

IUPAC(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc([C@@H]2COC3(CCNCC3)C2)cc1
InChIInChI=1S/C14H19NO/c1-2-4-12(5-3-1)13-10-14(16-11-13)6-8-15-9-7-14/h1-5,13,15H,6-11H2/t13-/m0/s1
InChIKeyGNVPYMIJYSFKIB-ZDUSSCGKSA-N
MW217.31 g/mol
LogP2.31
Rot. Bonds1

About (3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane

(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124703511) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID124703511
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc([C@@H]2COC3(CCNCC3)C2)cc1
InChIInChI=1S/C14H19NO/c1-2-4-12(5-3-1)13-10-14(16-11-13)6-8-15-9-7-14/h1-5,13,15H,6-11H2/t13-/m0/s1
InChIKeyGNVPYMIJYSFKIB-ZDUSSCGKSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane (CID 124703511) is (3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane is c1ccc([C@@H]2COC3(CCNCC3)C2)cc1.
What is the InChIKey of (3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GNVPYMIJYSFKIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-4-12(5-3-1)13-10-14(16-11-13)6-8-15-9-7-14/h1-5,13,15H,6-11H2/t13-/m0/s1.
What are the key properties of (3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 217.31 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124703511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).