7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol

C14H19NO — CID 175622179

IUPAC7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol
SMILESCc1ccc(C2(O)CN3CCCCC32)cc1
InChIInChI=1S/C14H19NO/c1-11-5-7-12(8-6-11)14(16)10-15-9-3-2-4-13(14)15/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyYWRGPVCWZNZGJZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.05
Rot. Bonds1

About 7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol

7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol (PubChem CID 175622179) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol.

Molecular Properties

Compound Name7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol
PubChem CID175622179
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol
SMILESCc1ccc(C2(O)CN3CCCCC32)cc1
InChIInChI=1S/C14H19NO/c1-11-5-7-12(8-6-11)14(16)10-15-9-3-2-4-13(14)15/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyYWRGPVCWZNZGJZ-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol?
The IUPAC name of 7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol (CID 175622179) is 7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol.
What is the SMILES notation for 7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol?
The canonical SMILES for 7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol is Cc1ccc(C2(O)CN3CCCCC32)cc1.
What is the InChIKey of 7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol?
The InChIKey is YWRGPVCWZNZGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-7-12(8-6-11)14(16)10-15-9-3-2-4-13(14)15/h5-8,13,16H,2-4,9-10H2,1H3.
What are the key properties of 7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol?
7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol has a molecular weight of 217.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-1-azabicyclo[4.2.0]octan-7-ol is sourced from PubChem (CID 175622179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).