7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene

C18H19NO2 — CID 171974415

IUPAC7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESCOc1ccc(C2=CC3COCC(C2)N3)c2ccccc12
InChIInChI=1S/C18H19NO2/c1-20-18-7-6-15(16-4-2-3-5-17(16)18)12-8-13-10-21-11-14(9-12)19-13/h2-8,13-14,19H,9-11H2,1H3
InChIKeyXKDKSIIKMZVQCL-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.99
Rot. Bonds2

About 7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene

7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene (PubChem CID 171974415) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
PubChem CID171974415
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESCOc1ccc(C2=CC3COCC(C2)N3)c2ccccc12
InChIInChI=1S/C18H19NO2/c1-20-18-7-6-15(16-4-2-3-5-17(16)18)12-8-13-10-21-11-14(9-12)19-13/h2-8,13-14,19H,9-11H2,1H3
InChIKeyXKDKSIIKMZVQCL-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3,4-trimethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-en-6-one
CID 14357816
5-(4-methoxynaphthalen-1-yl)oxolan-2-one
CID 103439901
1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene
CID 173197365
(3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 129365943
1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
CID 62798863
4-(8-azabicyclo[3.2.1]oct-2-en-3-yl)isoquinoline
CID 114244199
3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
CID 106888428
2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane
CID 10555113
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
CID 175349946
benzyl 3-(4-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171967166
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
CID 122402189
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene (CID 171974415) is 7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene is COc1ccc(C2=CC3COCC(C2)N3)c2ccccc12.
What is the InChIKey of 7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The InChIKey is XKDKSIIKMZVQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-18-7-6-15(16-4-2-3-5-17(16)18)12-8-13-10-21-11-14(9-12)19-13/h2-8,13-14,19H,9-11H2,1H3.
What are the key properties of 7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene has a molecular weight of 281.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxynaphthalen-1-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 171974415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).