3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene

C12H15NO — CID 142950521

IUPAC3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene
SMILESCc1cn2c3c1=CCCC=3OC(C)C2
InChIInChI=1S/C12H15NO/c1-8-6-13-7-9(2)14-11-5-3-4-10(8)12(11)13/h4,6,9H,3,5,7H2,1-2H3
InChIKeyQTXLOLPWVWSCAF-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.90
Rot. Bonds

About 3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene

3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene (PubChem CID 142950521) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene.

Molecular Properties

Compound Name3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene
PubChem CID142950521
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene
SMILESCc1cn2c3c1=CCCC=3OC(C)C2
InChIInChI=1S/C12H15NO/c1-8-6-13-7-9(2)14-11-5-3-4-10(8)12(11)13/h4,6,9H,3,5,7H2,1-2H3
InChIKeyQTXLOLPWVWSCAF-UHFFFAOYSA-N
XLogP0.90
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene?
The IUPAC name of 3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene (CID 142950521) is 3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene.
What is the SMILES notation for 3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene?
The canonical SMILES for 3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene is Cc1cn2c3c1=CCCC=3OC(C)C2.
What is the InChIKey of 3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene?
The InChIKey is QTXLOLPWVWSCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-6-13-7-9(2)14-11-5-3-4-10(8)12(11)13/h4,6,9H,3,5,7H2,1-2H3.
What are the key properties of 3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene?
3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene has a molecular weight of 189.26 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,8(12)-triene is sourced from PubChem (CID 142950521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).