3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol

C11H11NO — CID 143770466

IUPAC3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol
SMILESCC1=CC=C2C=CC=C(O)C(=N1)C2
InChIInChI=1S/C11H11NO/c1-8-5-6-9-3-2-4-11(13)10(7-9)12-8/h2-6,13H,7H2,1H3
InChIKeyHCTNRVJZKVBRFX-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.67
Rot. Bonds

About 3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol

3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol (PubChem CID 143770466) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol.

Molecular Properties

Compound Name3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol
PubChem CID143770466
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol
SMILESCC1=CC=C2C=CC=C(O)C(=N1)C2
InChIInChI=1S/C11H11NO/c1-8-5-6-9-3-2-4-11(13)10(7-9)12-8/h2-6,13H,7H2,1H3
InChIKeyHCTNRVJZKVBRFX-UHFFFAOYSA-N
XLogP2.67
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol?
The IUPAC name of 3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol (CID 143770466) is 3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol.
What is the SMILES notation for 3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol?
The canonical SMILES for 3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol is CC1=CC=C2C=CC=C(O)C(=N1)C2.
What is the InChIKey of 3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol?
The InChIKey is HCTNRVJZKVBRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-5-6-9-3-2-4-11(13)10(7-9)12-8/h2-6,13H,7H2,1H3.
What are the key properties of 3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol?
3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol has a molecular weight of 173.22 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-10-ol is sourced from PubChem (CID 143770466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).