3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene

C16H21NO — CID 23560828

IUPAC3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
SMILESCC1=CC2(CCCN(C)C2c2ccccc2)OC1
InChIInChI=1S/C16H21NO/c1-13-11-16(18-12-13)9-6-10-17(2)15(16)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3
InChIKeyKZCNUXIJVAVVKC-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.17
Rot. Bonds1

About 3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene

3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene (PubChem CID 23560828) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
PubChem CID23560828
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
SMILESCC1=CC2(CCCN(C)C2c2ccccc2)OC1
InChIInChI=1S/C16H21NO/c1-13-11-16(18-12-13)9-6-10-17(2)15(16)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3
InChIKeyKZCNUXIJVAVVKC-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-Phenyl-4-propyl-tetrahydro-1,4-oxazine
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CID 6437591
Piperidine, 1-(beta-ethoxyphenethyl)-
CID 99794
3,4-Dimethyl-2-phenylmorpholine--hydrogen chloride (1/1)
CID 111021
2-Phenyl-3-(1-phenyl-ethoxy)-piperidine
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1-(2-Methoxy-1-phenylethyl)-4-phenylpiperidin-4-ol
CID 44426816

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene (CID 23560828) is 3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene is CC1=CC2(CCCN(C)C2c2ccccc2)OC1.
What is the InChIKey of 3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
The InChIKey is KZCNUXIJVAVVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13-11-16(18-12-13)9-6-10-17(2)15(16)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3.
What are the key properties of 3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene has a molecular weight of 243.35 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 23560828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).