8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol

C8H9NO — CID 105427855

IUPAC8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
SMILESNC1Cc2cccc(O)c21
InChIInChI=1S/C8H9NO/c9-6-4-5-2-1-3-7(10)8(5)6/h1-3,6,10H,4,9H2
InChIKeyHSYWYPSOVMIFTM-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.95
Rot. Bonds

About 8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol

8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol (PubChem CID 105427855) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol.

Molecular Properties

Compound Name8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
PubChem CID105427855
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
SMILESNC1Cc2cccc(O)c21
InChIInChI=1S/C8H9NO/c9-6-4-5-2-1-3-7(10)8(5)6/h1-3,6,10H,4,9H2
InChIKeyHSYWYPSOVMIFTM-UHFFFAOYSA-N
XLogP0.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
8-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 83827745
methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125955
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol
CID 156582450
7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
CID 105427853
(4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol
CID 131036789
2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
CID 112546950
(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
CID 105465700
(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride
CID 67331166
9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide
CID 90673824

Frequently Asked Questions

What is the IUPAC name of 8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The IUPAC name of 8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol (CID 105427855) is 8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol.
What is the SMILES notation for 8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The canonical SMILES for 8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol is NC1Cc2cccc(O)c21.
What is the InChIKey of 8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The InChIKey is HSYWYPSOVMIFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-6-4-5-2-1-3-7(10)8(5)6/h1-3,6,10H,4,9H2.
What are the key properties of 8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol has a molecular weight of 135.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol is sourced from PubChem (CID 105427855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).