9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene

C20H21NO — CID 171973196

IUPAC9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESCN1C2C=C(c3cccc(-c4ccccc4)c3)CC1COC2
InChIInChI=1S/C20H21NO/c1-21-19-11-18(12-20(21)14-22-13-19)17-9-5-8-16(10-17)15-6-3-2-4-7-15/h2-11,19-20H,12-14H2,1H3
InChIKeyPLGXXLOJJSIXSB-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.84
Rot. Bonds2

About 9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene

9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene (PubChem CID 171973196) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
PubChem CID171973196
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESCN1C2C=C(c3cccc(-c4ccccc4)c3)CC1COC2
InChIInChI=1S/C20H21NO/c1-21-19-11-18(12-20(21)14-22-13-19)17-9-5-8-16(10-17)15-6-3-2-4-7-15/h2-11,19-20H,12-14H2,1H3
InChIKeyPLGXXLOJJSIXSB-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171974362
tert-butyl 3-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)benzoate
CID 171972474
9-methyl-7-(4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971626
7-(3,5-dimethoxyphenyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171974924
2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole
CID 171974718
9-benzyl-7-(3-bromophenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171972810
9-methyl-7-[4-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973865
7-(3,4-difluoro-5-methoxyphenyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171975139
7-[2-fluoro-3-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973824
N-[3-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)phenyl]acetamide
CID 171970019
9-benzyl-7-(4-propan-2-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971021
9-benzyl-7-[4-(2-methylpropyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171969645

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene (CID 171973196) is 9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene is CN1C2C=C(c3cccc(-c4ccccc4)c3)CC1COC2.
What is the InChIKey of 9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The InChIKey is PLGXXLOJJSIXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-21-19-11-18(12-20(21)14-22-13-19)17-9-5-8-16(10-17)15-6-3-2-4-7-15/h2-11,19-20H,12-14H2,1H3.
What are the key properties of 9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene has a molecular weight of 291.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 171973196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).