4-amino-8H-benzo[7]annulen-1-ol

C11H11NO — CID 142801321

IUPAC4-amino-8H-benzo[7]annulen-1-ol
SMILESNc1ccc(O)c2c1=CC=CCC=2
InChIInChI=1S/C11H11NO/c12-10-6-7-11(13)9-5-3-1-2-4-8(9)10/h1-2,4-7,13H,3,12H2
InChIKeyOFLDZDRJIPPYBG-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.50
Rot. Bonds

About 4-amino-8H-benzo[7]annulen-1-ol

4-amino-8H-benzo[7]annulen-1-ol (PubChem CID 142801321) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-amino-8H-benzo[7]annulen-1-ol.

Molecular Properties

Compound Name4-amino-8H-benzo[7]annulen-1-ol
PubChem CID142801321
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name4-amino-8H-benzo[7]annulen-1-ol
SMILESNc1ccc(O)c2c1=CC=CCC=2
InChIInChI=1S/C11H11NO/c12-10-6-7-11(13)9-5-3-1-2-4-8(9)10/h1-2,4-7,13H,3,12H2
InChIKeyOFLDZDRJIPPYBG-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-Amino-1,3-dihydroxybenzocycloheptene
CID 137319
(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol
CID 89047516
4,5-Diamino-6,7-dihydronaphthalen-1-ol
CID 89643350
4,5-Diamino-2,3-dihydronaphthalene-1,8-diol
CID 89643460
2-(1-Aminoethenyl)cyclohexa-1,3-diene-1,3-diol
CID 89803858
2-(1-Aminoethenyl)cyclohexa-1,5-dien-1-ol
CID 121366943
(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol
CID 134404751
4,5-Diaminobiphenylene-1,6-diol
CID 139985003
1-Amino-6,7-dihydronaphthalen-2-ol
CID 142830159
(5Z,6Z)-6-(1-aminoethylidene)-5-ethylidenecyclohexa-1,3-dien-1-ol
CID 143741357
4-Amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane
CID 143820253
(5E,6E)-5-(1-aminoethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-ol;ethane
CID 144298178

Frequently Asked Questions

What is the IUPAC name of 4-amino-8H-benzo[7]annulen-1-ol?
The IUPAC name of 4-amino-8H-benzo[7]annulen-1-ol (CID 142801321) is 4-amino-8H-benzo[7]annulen-1-ol.
What is the SMILES notation for 4-amino-8H-benzo[7]annulen-1-ol?
The canonical SMILES for 4-amino-8H-benzo[7]annulen-1-ol is Nc1ccc(O)c2c1=CC=CCC=2.
What is the InChIKey of 4-amino-8H-benzo[7]annulen-1-ol?
The InChIKey is OFLDZDRJIPPYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-10-6-7-11(13)9-5-3-1-2-4-8(9)10/h1-2,4-7,13H,3,12H2.
What are the key properties of 4-amino-8H-benzo[7]annulen-1-ol?
4-amino-8H-benzo[7]annulen-1-ol has a molecular weight of 173.22 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8H-benzo[7]annulen-1-ol is sourced from PubChem (CID 142801321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).