7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol

C8H9NO — CID 105427853

IUPAC7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
SMILESNC1Cc2cc(O)ccc21
InChIInChI=1S/C8H9NO/c9-8-4-5-3-6(10)1-2-7(5)8/h1-3,8,10H,4,9H2
InChIKeyQYWFFZSNCJTGNV-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.95
Rot. Bonds

About 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol

7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol (PubChem CID 105427853) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol.

Molecular Properties

Compound Name7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
PubChem CID105427853
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
SMILESNC1Cc2cc(O)ccc21
InChIInChI=1S/C8H9NO/c9-8-4-5-3-6(10)1-2-7(5)8/h1-3,8,10H,4,9H2
InChIKeyQYWFFZSNCJTGNV-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

Analyze 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol with MolForge

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Related Compounds

(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105427752
(1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol
CID 15359812
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-inden-5-ol
CID 129379514
(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol
CID 129388444
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
CID 167179396
4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 152788699
(3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid
CID 141182743
(3R)-3-amino-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 86339030
(1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 68501974
2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-5-ol
CID 19799155

Frequently Asked Questions

What is the IUPAC name of 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol?
The IUPAC name of 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol (CID 105427853) is 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol.
What is the SMILES notation for 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol?
The canonical SMILES for 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol is NC1Cc2cc(O)ccc21.
What is the InChIKey of 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol?
The InChIKey is QYWFFZSNCJTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-8-4-5-3-6(10)1-2-7(5)8/h1-3,8,10H,4,9H2.
What are the key properties of 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol?
7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-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 7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol is sourced from PubChem (CID 105427853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).