7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene

C16H20ClNO — CID 176909644

IUPAC7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1CCC2(N=C(c3cccc(Cl)c3)CC2(C)C)O1
InChIInChI=1S/C16H20ClNO/c1-11-7-8-16(19-11)15(2,3)10-14(18-16)12-5-4-6-13(17)9-12/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyHZZSQDAZUSQHFA-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.45
Rot. Bonds1

About 7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene

7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909644) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909644
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1CCC2(N=C(c3cccc(Cl)c3)CC2(C)C)O1
InChIInChI=1S/C16H20ClNO/c1-11-7-8-16(19-11)15(2,3)10-14(18-16)12-5-4-6-13(17)9-12/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyHZZSQDAZUSQHFA-UHFFFAOYSA-N
XLogP4.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(3-chlorophenyl)-2,9,9-trimethyl-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
2-Ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909624
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-(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
9,9-Dimethyl-7-(4-pentylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909640
7-(4-Butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909641
9,9-Dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909643
9,9-Dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909648

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909644) is 7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene is CC1CCC2(N=C(c3cccc(Cl)c3)CC2(C)C)O1.
What is the InChIKey of 7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is HZZSQDAZUSQHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-11-7-8-16(19-11)15(2,3)10-14(18-16)12-5-4-6-13(17)9-12/h4-6,9,11H,7-8,10H2,1-3H3.
What are the key properties of 7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 277.79 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-2,9,9-trimethyl-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).