1,4a,8,8a-tetrahydronaphthalene-2,7-dione

C10H10O2 — CID 123164314

IUPAC1,4a,8,8a-tetrahydronaphthalene-2,7-dione
SMILESO=C1C=CC2C=CC(=O)CC2C1
InChIInChI=1S/C10H10O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-4,7-8H,5-6H2
InChIKeyGGMZYTZIQPFLOF-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.28
Rot. Bonds

About 1,4a,8,8a-tetrahydronaphthalene-2,7-dione

1,4a,8,8a-tetrahydronaphthalene-2,7-dione (PubChem CID 123164314) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,4a,8,8a-tetrahydronaphthalene-2,7-dione.

Molecular Properties

Compound Name1,4a,8,8a-tetrahydronaphthalene-2,7-dione
PubChem CID123164314
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1,4a,8,8a-tetrahydronaphthalene-2,7-dione
SMILESO=C1C=CC2C=CC(=O)CC2C1
InChIInChI=1S/C10H10O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-4,7-8H,5-6H2
InChIKeyGGMZYTZIQPFLOF-UHFFFAOYSA-N
XLogP1.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-hydroxycyclopent-2-en-1-one
CID 6558436
(4aS,8aS)-1,3,4,4a,8,8a-hexahydronaphthalene-2,7-dione
CID 101092885
4-nitrosocyclopent-2-en-1-one
CID 57107910
(4S,5R)-4-hydroxy-5-methylcyclohex-2-en-1-one
CID 11693909
4-acetylcyclopent-2-en-1-one
CID 16753251
4-prop-1-en-2-ylcyclopent-2-en-1-one
CID 168900323
4,5-ditert-butylcyclohex-2-en-1-one
CID 58849833
dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium
CID 20672826
4-methanimidoylcyclopent-2-en-1-one
CID 56977106
(4aS,8aR,9aR)-3-trimethylsilyl-4,4a,5,8a,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,6-dione
CID 134899107
4,5-diphenylcyclohex-2-en-1-one
CID 12617897
(4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one
CID 10726728

Frequently Asked Questions

What is the IUPAC name of 1,4a,8,8a-tetrahydronaphthalene-2,7-dione?
The IUPAC name of 1,4a,8,8a-tetrahydronaphthalene-2,7-dione (CID 123164314) is 1,4a,8,8a-tetrahydronaphthalene-2,7-dione.
What is the SMILES notation for 1,4a,8,8a-tetrahydronaphthalene-2,7-dione?
The canonical SMILES for 1,4a,8,8a-tetrahydronaphthalene-2,7-dione is O=C1C=CC2C=CC(=O)CC2C1.
What is the InChIKey of 1,4a,8,8a-tetrahydronaphthalene-2,7-dione?
The InChIKey is GGMZYTZIQPFLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-4,7-8H,5-6H2.
What are the key properties of 1,4a,8,8a-tetrahydronaphthalene-2,7-dione?
1,4a,8,8a-tetrahydronaphthalene-2,7-dione has a molecular weight of 162.19 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4a,8,8a-tetrahydronaphthalene-2,7-dione is sourced from PubChem (CID 123164314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).