(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol

C11H15NO — CID 53322291

IUPAC(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
SMILESN[C@H]1CCc2ccccc2C[C@@H]1O
InChIInChI=1S/C11H15NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10-11,13H,5-7,12H2/t10-,11-/m0/s1
InChIKeyNCXHZPCORSPEPX-QWRGUYRKSA-N
MW177.25 g/mol
LogP0.86
Rot. Bonds

About (6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol

(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol (PubChem CID 53322291) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol.

Molecular Properties

Compound Name(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
PubChem CID53322291
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
SMILESN[C@H]1CCc2ccccc2C[C@@H]1O
InChIInChI=1S/C11H15NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10-11,13H,5-7,12H2/t10-,11-/m0/s1
InChIKeyNCXHZPCORSPEPX-QWRGUYRKSA-N
XLogP0.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 57377025
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
CID 40572503
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]cyclohexan-1-ol
CID 26458443
4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]cyclohexan-1-ol
CID 26458441
2-ethenyl-1,2,3,4-tetrahydronaphthalene
CID 18314182
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
3-ethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 89150261

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The IUPAC name of (6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol (CID 53322291) is (6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol.
What is the SMILES notation for (6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The canonical SMILES for (6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol is N[C@H]1CCc2ccccc2C[C@@H]1O.
What is the InChIKey of (6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The InChIKey is NCXHZPCORSPEPX-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H15NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10-11,13H,5-7,12H2/t10-,11-/m0/s1.
What are the key properties of (6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol has a molecular weight of 177.25 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol is sourced from PubChem (CID 53322291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).