11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene

C9H5NO — CID 70245532

IUPAC11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
SMILESc1cnc2c3ccc(o3)c2c1
InChIInChI=1S/C9H5NO/c1-2-6-7-3-4-8(11-7)9(6)10-5-1/h1-5H
InChIKeyDHQNBBACWKTKHL-UHFFFAOYSA-N
MW143.14 g/mol
LogP2.42
Rot. Bonds

About 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene

11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene (PubChem CID 70245532) has the molecular formula C9H5NO and a molecular weight of 143.14 g/mol. Its IUPAC name is 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
PubChem CID70245532
Molecular FormulaC9H5NO
Molecular Weight143.14 g/mol
Exact Mass143.04
IUPAC Name11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
SMILESc1cnc2c3ccc(o3)c2c1
InChIInChI=1S/C9H5NO/c1-2-6-7-3-4-8(11-7)9(6)10-5-1/h1-5H
InChIKeyDHQNBBACWKTKHL-UHFFFAOYSA-N
XLogP2.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 90291971
CID 90291971
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658
2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine
CID 70205602
8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265570
8-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122693136
8-[3-[3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265559
8-[3-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265589
8-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140837
17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 138661052
2-dibenzofuran-2-yl-8-[3-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]dibenzofuran;3-dibenzofuran-2-yl-5-(8-dibenzofuran-2-yldibenzofuran-2-yl)pyridine;8-[8-[3-(8-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-[1]benzofuro[3,2-b]pyridine;3-(8-phenyldibenzofuran-2-yl)-5-[8-(8-phenyldibenzofuran-2-yl)dibenzofuran-2-yl]pyridine
CID 159244725
[1]benzofuro[2,3-b]pyrazine
CID 55297119
5-(8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 167165543

Frequently Asked Questions

What is the IUPAC name of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene?
The IUPAC name of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene (CID 70245532) is 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene.
What is the SMILES notation for 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene?
The canonical SMILES for 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene is c1cnc2c3ccc(o3)c2c1.
What is the InChIKey of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene?
The InChIKey is DHQNBBACWKTKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO/c1-2-6-7-3-4-8(11-7)9(6)10-5-1/h1-5H.
What are the key properties of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene?
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene has a molecular weight of 143.14 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 70245532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).