4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

C12H15NO — CID 14857735

IUPAC4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C1CCNC2C1
InChIInChI=1S/C12H15NO/c1-14-9-2-3-10-11(7-9)8-4-5-13-12(10)6-8/h2-3,7-8,12-13H,4-6H2,1H3
InChIKeyMWMITLKZUPSAQS-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.22
Rot. Bonds1

About 4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 14857735) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
PubChem CID14857735
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C1CCNC2C1
InChIInChI=1S/C12H15NO/c1-14-9-2-3-10-11(7-9)8-4-5-13-12(10)6-8/h2-3,7-8,12-13H,4-6H2,1H3
InChIKeyMWMITLKZUPSAQS-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 19782497
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
(2R)-2-(2-iodo-5-methoxyphenyl)azetidine
CID 130626622
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride
CID 171197142
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol
CID 175472102
(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
CID 130676134

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (CID 14857735) is 4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is COc1ccc2c(c1)C1CCNC2C1.
What is the InChIKey of 4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is MWMITLKZUPSAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-14-9-2-3-10-11(7-9)8-4-5-13-12(10)6-8/h2-3,7-8,12-13H,4-6H2,1H3.
What are the key properties of 4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 189.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 14857735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).