8aH-naphthalen-1-one

C10H8O — CID 59335344

IUPAC8aH-naphthalen-1-one
SMILESO=C1C=CC=C2C=CC=CC12
InChIInChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,9H
InChIKeyJZMLGLMRKWAFAQ-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.79
Rot. Bonds

About 8aH-naphthalen-1-one

8aH-naphthalen-1-one (PubChem CID 59335344) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is 8aH-naphthalen-1-one.

Molecular Properties

Compound Name8aH-naphthalen-1-one
PubChem CID59335344
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Name8aH-naphthalen-1-one
SMILESO=C1C=CC=C2C=CC=CC12
InChIInChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,9H
InChIKeyJZMLGLMRKWAFAQ-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8aH-naphthalen-1-one?
The IUPAC name of 8aH-naphthalen-1-one (CID 59335344) is 8aH-naphthalen-1-one.
What is the SMILES notation for 8aH-naphthalen-1-one?
The canonical SMILES for 8aH-naphthalen-1-one is O=C1C=CC=C2C=CC=CC12.
What is the InChIKey of 8aH-naphthalen-1-one?
The InChIKey is JZMLGLMRKWAFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,9H.
What are the key properties of 8aH-naphthalen-1-one?
8aH-naphthalen-1-one has a molecular weight of 144.17 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-naphthalen-1-one is sourced from PubChem (CID 59335344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).