9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

C11H11NO — CID 117275612

IUPAC9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
SMILESc1cc2c3c(c1)ccn3CCCO2
InChIInChI=1S/C11H11NO/c1-3-9-5-7-12-6-2-8-13-10(4-1)11(9)12/h1,3-5,7H,2,6,8H2
InChIKeyUCHPFBVCBUGHAI-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.42
Rot. Bonds

About 9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene (PubChem CID 117275612) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene.

Molecular Properties

Compound Name9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
PubChem CID117275612
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
SMILESc1cc2c3c(c1)ccn3CCCO2
InChIInChI=1S/C11H11NO/c1-3-9-5-7-12-6-2-8-13-10(4-1)11(9)12/h1,3-5,7H,2,6,8H2
InChIKeyUCHPFBVCBUGHAI-UHFFFAOYSA-N
XLogP2.42
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene?
The IUPAC name of 9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene (CID 117275612) is 9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene.
What is the SMILES notation for 9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene?
The canonical SMILES for 9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene is c1cc2c3c(c1)ccn3CCCO2.
What is the InChIKey of 9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene?
The InChIKey is UCHPFBVCBUGHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-9-5-7-12-6-2-8-13-10(4-1)11(9)12/h1,3-5,7H,2,6,8H2.
What are the key properties of 9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene?
9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene has a molecular weight of 173.22 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 9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene is sourced from PubChem (CID 117275612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).