9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene

C8H5NO — CID 91396425

IUPAC9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene
SMILESC1=CCc2c3oc(c2=C1)=N3
InChIInChI=1S/C8H5NO/c1-2-4-6-5(3-1)7-9-8(6)10-7/h1-3H,4H2
InChIKeyMRQRNOJFQAWYAX-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.44
Rot. Bonds

About 9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene

9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene (PubChem CID 91396425) has the molecular formula C8H5NO and a molecular weight of 131.13 g/mol. Its IUPAC name is 9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene.

Molecular Properties

Compound Name9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene
PubChem CID91396425
Molecular FormulaC8H5NO
Molecular Weight131.13 g/mol
Exact Mass131.04
IUPAC Name9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene
SMILESC1=CCc2c3oc(c2=C1)=N3
InChIInChI=1S/C8H5NO/c1-2-4-6-5(3-1)7-9-8(6)10-7/h1-3H,4H2
InChIKeyMRQRNOJFQAWYAX-UHFFFAOYSA-N
XLogP0.44
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclopenta-1,3-dien-1-ylmethyl(trimethyl)silane;hafnium;dichloride
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carbanide;cyclopenta-1,3-dien-1-yl(trimethyl)silane;platinum
CID 174949211
8H-phenanthro[9,10-d][1,3]dioxol-7-one
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1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
2,7-dibromo-3H-azepine
CID 143991393
3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)silane
CID 162074048
cyclopenta-1,3-dien-1-yl-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane
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7H-indol-2-ol
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1-ethylcyclopenta-1,3-diene
CID 528166

Frequently Asked Questions

What is the IUPAC name of 9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene?
The IUPAC name of 9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene (CID 91396425) is 9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene.
What is the SMILES notation for 9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene?
The canonical SMILES for 9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene is C1=CCc2c3oc(c2=C1)=N3.
What is the InChIKey of 9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene?
The InChIKey is MRQRNOJFQAWYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO/c1-2-4-6-5(3-1)7-9-8(6)10-7/h1-3H,4H2.
What are the key properties of 9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene?
9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene has a molecular weight of 131.13 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-10-azatricyclo[6.1.1.02,7]deca-1(10),2,4,7-tetraene is sourced from PubChem (CID 91396425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).