9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene

C12H11NO — CID 59613717

IUPAC9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
SMILESCOc1ccc2c3c(ccnc13)CC2
InChIInChI=1S/C12H11NO/c1-14-10-5-4-8-2-3-9-6-7-13-12(10)11(8)9/h4-7H,2-3H2,1H3
InChIKeyQEFZMJHBJBPJTB-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.34
Rot. Bonds1

About 9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene

9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene (PubChem CID 59613717) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene.

Molecular Properties

Compound Name9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
PubChem CID59613717
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
SMILESCOc1ccc2c3c(ccnc13)CC2
InChIInChI=1S/C12H11NO/c1-14-10-5-4-8-2-3-9-6-7-13-12(10)11(8)9/h4-7H,2-3H2,1H3
InChIKeyQEFZMJHBJBPJTB-UHFFFAOYSA-N
XLogP2.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene?
The IUPAC name of 9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene (CID 59613717) is 9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene.
What is the SMILES notation for 9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene?
The canonical SMILES for 9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene is COc1ccc2c3c(ccnc13)CC2.
What is the InChIKey of 9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene?
The InChIKey is QEFZMJHBJBPJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-14-10-5-4-8-2-3-9-6-7-13-12(10)11(8)9/h4-7H,2-3H2,1H3.
What are the key properties of 9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene?
9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene has a molecular weight of 185.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene is sourced from PubChem (CID 59613717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).