8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene

C14H23NO — CID 91573900

IUPAC8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene
SMILESCC1=C(C)OC2(CCN(C3CCC3)CC2)C1
InChIInChI=1S/C14H23NO/c1-11-10-14(16-12(11)2)6-8-15(9-7-14)13-4-3-5-13/h13H,3-10H2,1-2H3
InChIKeyBDQSAZYPNIYYIO-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.09
Rot. Bonds1

About 8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene

8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene (PubChem CID 91573900) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene
PubChem CID91573900
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene
SMILESCC1=C(C)OC2(CCN(C3CCC3)CC2)C1
InChIInChI=1S/C14H23NO/c1-11-10-14(16-12(11)2)6-8-15(9-7-14)13-4-3-5-13/h13H,3-10H2,1-2H3
InChIKeyBDQSAZYPNIYYIO-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene?
The IUPAC name of 8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene (CID 91573900) is 8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene is CC1=C(C)OC2(CCN(C3CCC3)CC2)C1.
What is the InChIKey of 8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene?
The InChIKey is BDQSAZYPNIYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-10-14(16-12(11)2)6-8-15(9-7-14)13-4-3-5-13/h13H,3-10H2,1-2H3.
What are the key properties of 8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene?
8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene has a molecular weight of 221.34 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 91573900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).