2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene

C17H23NO — CID 176909624

IUPAC2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCCC1CCC2(N=C(c3ccccc3)CC2(C)C)O1
InChIInChI=1S/C17H23NO/c1-4-14-10-11-17(19-14)16(2,3)12-15(18-17)13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3
InChIKeyFWDPDLQXIKBFOW-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.19
Rot. Bonds2

About 2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene

2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909624) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909624
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCCC1CCC2(N=C(c3ccccc3)CC2(C)C)O1
InChIInChI=1S/C17H23NO/c1-4-14-10-11-17(19-14)16(2,3)12-15(18-17)13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3
InChIKeyFWDPDLQXIKBFOW-UHFFFAOYSA-N
XLogP4.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(r,s)-2,4,4-Trimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 13734883
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
5-t-Butyl-3-phenylisoxazoline
CID 129795964
(1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene
CID 135037908
Oxazole, 2,5-dihydro-2,2-dimethyl-5-(1-methylethyl)-4-phenyl-
CID 569048
5-(4,4-Dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 58318352
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909624) is 2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene is CCC1CCC2(N=C(c3ccccc3)CC2(C)C)O1.
What is the InChIKey of 2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is FWDPDLQXIKBFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-14-10-11-17(19-14)16(2,3)12-15(18-17)13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3.
What are the key properties of 2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene?
2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 257.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).