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

C11H15NO — CID 13125681

IUPAC5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
SMILESNC1c2ccccc2CCCC1O
InChIInChI=1S/C11H15NO/c12-11-9-6-2-1-4-8(9)5-3-7-10(11)13/h1-2,4,6,10-11,13H,3,5,7,12H2
InChIKeyBTRCHTMVMNPPSF-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.38
Rot. Bonds

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

5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol (PubChem CID 13125681) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol.

Molecular Properties

Compound Name5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
PubChem CID13125681
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
SMILESNC1c2ccccc2CCCC1O
InChIInChI=1S/C11H15NO/c12-11-9-6-2-1-4-8(9)5-3-7-10(11)13/h1-2,4,6,10-11,13H,3,5,7,12H2
InChIKeyBTRCHTMVMNPPSF-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
6-ethylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64614223
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926
3-[(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)sulfanyl]butan-2-ol
CID 107772612
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62141015
6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16787660
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783923
6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801

Frequently Asked Questions

What is the IUPAC name of 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The IUPAC name of 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol (CID 13125681) is 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol.
What is the SMILES notation for 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The canonical SMILES for 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol is NC1c2ccccc2CCCC1O.
What is the InChIKey of 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The InChIKey is BTRCHTMVMNPPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-11-9-6-2-1-4-8(9)5-3-7-10(11)13/h1-2,4,6,10-11,13H,3,5,7,12H2.
What are the key properties of 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol has a molecular weight of 177.25 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol is sourced from PubChem (CID 13125681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).