9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene

C16H21NO — CID 176909643

IUPAC9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCc1cccc(C2=NC3(CCCO3)C(C)(C)C2)c1
InChIInChI=1S/C16H21NO/c1-12-6-4-7-13(10-12)14-11-15(2,3)16(17-14)8-5-9-18-16/h4,6-7,10H,5,8-9,11H2,1-3H3
InChIKeyLFGFLMSJCAUVKF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.72
Rot. Bonds1

About 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene

9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909643) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909643
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCc1cccc(C2=NC3(CCCO3)C(C)(C)C2)c1
InChIInChI=1S/C16H21NO/c1-12-6-4-7-13(10-12)14-11-15(2,3)16(17-14)8-5-9-18-16/h4,6-7,10H,5,8-9,11H2,1-3H3
InChIKeyLFGFLMSJCAUVKF-UHFFFAOYSA-N
XLogP3.72
TPSA21.59 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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene with MolForge

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Related Compounds

7-(2-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909629
7-(4-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909633
7-(3-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909635
9,9-Dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909642
2-Ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909624
2,9,9-Trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909626
7-(4-Bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909627
7-(4-Chlorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909628
7-(4-Ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909631
7-(3-Bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909636
7-(2-Chlorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909637
9,9-Dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909638

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909643) is 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene is Cc1cccc(C2=NC3(CCCO3)C(C)(C)C2)c1.
What is the InChIKey of 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is LFGFLMSJCAUVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-6-4-7-13(10-12)14-11-15(2,3)16(17-14)8-5-9-18-16/h4,6-7,10H,5,8-9,11H2,1-3H3.
What are the key properties of 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 243.35 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).