3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene

C10H11NO — CID 118423664

IUPAC3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
SMILESc1cc2c3c(c1)OCN3CCC2
InChIInChI=1S/C10H11NO/c1-3-8-4-2-6-11-7-12-9(5-1)10(8)11/h1,3,5H,2,4,6-7H2
InChIKeyJYQSSULTICTXOY-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.79
Rot. Bonds

About 3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene

3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene (PubChem CID 118423664) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene.

Molecular Properties

Compound Name3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
PubChem CID118423664
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
SMILESc1cc2c3c(c1)OCN3CCC2
InChIInChI=1S/C10H11NO/c1-3-8-4-2-6-11-7-12-9(5-1)10(8)11/h1,3,5H,2,4,6-7H2
InChIKeyJYQSSULTICTXOY-UHFFFAOYSA-N
XLogP1.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The IUPAC name of 3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene (CID 118423664) is 3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene.
What is the SMILES notation for 3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The canonical SMILES for 3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene is c1cc2c3c(c1)OCN3CCC2.
What is the InChIKey of 3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The InChIKey is JYQSSULTICTXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-8-4-2-6-11-7-12-9(5-1)10(8)11/h1,3,5H,2,4,6-7H2.
What are the key properties of 3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene has a molecular weight of 161.20 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene is sourced from PubChem (CID 118423664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).