8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

C10H11NO2 — CID 15009213

IUPAC8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESNc1ccc(O)c2c1C(=O)CCC2
InChIInChI=1S/C10H11NO2/c11-7-4-5-8(12)6-2-1-3-9(13)10(6)7/h4-5,12H,1-3,11H2
InChIKeyPLIBWFJWJBJPQS-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.49
Rot. Bonds

About 8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 15009213) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID15009213
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESNc1ccc(O)c2c1C(=O)CCC2
InChIInChI=1S/C10H11NO2/c11-7-4-5-8(12)6-2-1-3-9(13)10(6)7/h4-5,12H,1-3,11H2
InChIKeyPLIBWFJWJBJPQS-UHFFFAOYSA-N
XLogP1.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 15009213) is 8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one is Nc1ccc(O)c2c1C(=O)CCC2.
What is the InChIKey of 8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PLIBWFJWJBJPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-7-4-5-8(12)6-2-1-3-9(13)10(6)7/h4-5,12H,1-3,11H2.
What are the key properties of 8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 177.20 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 15009213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).