8-amino-8,8a-dihydro-4H-naphthalen-1-one

C10H11NO — CID 19902708

IUPAC8-amino-8,8a-dihydro-4H-naphthalen-1-one
SMILESNC1C=CC=C2CC=CC(=O)C21
InChIInChI=1S/C10H11NO/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-3,5-6,8,10H,4,11H2
InChIKeyFAIFHGLVFWHRCR-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.96
Rot. Bonds

About 8-amino-8,8a-dihydro-4H-naphthalen-1-one

8-amino-8,8a-dihydro-4H-naphthalen-1-one (PubChem CID 19902708) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 8-amino-8,8a-dihydro-4H-naphthalen-1-one.

Molecular Properties

Compound Name8-amino-8,8a-dihydro-4H-naphthalen-1-one
PubChem CID19902708
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name8-amino-8,8a-dihydro-4H-naphthalen-1-one
SMILESNC1C=CC=C2CC=CC(=O)C21
InChIInChI=1S/C10H11NO/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-3,5-6,8,10H,4,11H2
InChIKeyFAIFHGLVFWHRCR-UHFFFAOYSA-N
XLogP0.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-amino-8,8a-dihydro-4H-naphthalen-1-one?
The IUPAC name of 8-amino-8,8a-dihydro-4H-naphthalen-1-one (CID 19902708) is 8-amino-8,8a-dihydro-4H-naphthalen-1-one.
What is the SMILES notation for 8-amino-8,8a-dihydro-4H-naphthalen-1-one?
The canonical SMILES for 8-amino-8,8a-dihydro-4H-naphthalen-1-one is NC1C=CC=C2CC=CC(=O)C21.
What is the InChIKey of 8-amino-8,8a-dihydro-4H-naphthalen-1-one?
The InChIKey is FAIFHGLVFWHRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-3,5-6,8,10H,4,11H2.
What are the key properties of 8-amino-8,8a-dihydro-4H-naphthalen-1-one?
8-amino-8,8a-dihydro-4H-naphthalen-1-one has a molecular weight of 161.20 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-8,8a-dihydro-4H-naphthalen-1-one is sourced from PubChem (CID 19902708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).