11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene

C12H13NO — CID 137418963

IUPAC11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene
SMILESCOC1=CC=CC2=CCC=CN=C2C1
InChIInChI=1S/C12H13NO/c1-14-11-7-4-6-10-5-2-3-8-13-12(10)9-11/h3-8H,2,9H2,1H3
InChIKeyFQBRONAMTAGDSM-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.76
Rot. Bonds1

About 11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene

11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene (PubChem CID 137418963) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene.

Molecular Properties

Compound Name11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene
PubChem CID137418963
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene
SMILESCOC1=CC=CC2=CCC=CN=C2C1
InChIInChI=1S/C12H13NO/c1-14-11-7-4-6-10-5-2-3-8-13-12(10)9-11/h3-8H,2,9H2,1H3
InChIKeyFQBRONAMTAGDSM-UHFFFAOYSA-N
XLogP2.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene?
The IUPAC name of 11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene (CID 137418963) is 11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene.
What is the SMILES notation for 11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene?
The canonical SMILES for 11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene is COC1=CC=CC2=CCC=CN=C2C1.
What is the InChIKey of 11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene?
The InChIKey is FQBRONAMTAGDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-11-7-4-6-10-5-2-3-8-13-12(10)9-11/h3-8H,2,9H2,1H3.
What are the key properties of 11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene?
11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene has a molecular weight of 187.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-2-azabicyclo[5.5.0]dodeca-1,3,6,8,10-pentaene is sourced from PubChem (CID 137418963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).