5,6,7,8-tetrahydro-4aH-naphthalen-2-one

C10H12O — CID 69409971

IUPAC5,6,7,8-tetrahydro-4aH-naphthalen-2-one
SMILESO=C1C=CC2CCCCC2=C1
InChIInChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-8H,1-4H2
InChIKeyCGVAWJSXRAYRFH-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.24
Rot. Bonds

About 5,6,7,8-tetrahydro-4aH-naphthalen-2-one

5,6,7,8-tetrahydro-4aH-naphthalen-2-one (PubChem CID 69409971) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4aH-naphthalen-2-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4aH-naphthalen-2-one
PubChem CID69409971
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name5,6,7,8-tetrahydro-4aH-naphthalen-2-one
SMILESO=C1C=CC2CCCCC2=C1
InChIInChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-8H,1-4H2
InChIKeyCGVAWJSXRAYRFH-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4aH-naphthalen-2-one?
The IUPAC name of 5,6,7,8-tetrahydro-4aH-naphthalen-2-one (CID 69409971) is 5,6,7,8-tetrahydro-4aH-naphthalen-2-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-4aH-naphthalen-2-one?
The canonical SMILES for 5,6,7,8-tetrahydro-4aH-naphthalen-2-one is O=C1C=CC2CCCCC2=C1.
What is the InChIKey of 5,6,7,8-tetrahydro-4aH-naphthalen-2-one?
The InChIKey is CGVAWJSXRAYRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-8H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydro-4aH-naphthalen-2-one?
5,6,7,8-tetrahydro-4aH-naphthalen-2-one has a molecular weight of 148.20 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4aH-naphthalen-2-one is sourced from PubChem (CID 69409971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).