1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one

C10H9NO2 — CID 139821856

IUPAC1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
SMILESO=C1NC2C(=CC3=CC=CCC32)O1
InChIInChI=1S/C10H9NO2/c12-10-11-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-3,5,7,9H,4H2,(H,11,12)
InChIKeyZOCDGTZWQHXGFE-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.49
Rot. Bonds

About 1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one

1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one (PubChem CID 139821856) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
PubChem CID139821856
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
SMILESO=C1NC2C(=CC3=CC=CCC32)O1
InChIInChI=1S/C10H9NO2/c12-10-11-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-3,5,7,9H,4H2,(H,11,12)
InChIKeyZOCDGTZWQHXGFE-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one?
The IUPAC name of 1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one (CID 139821856) is 1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one.
What is the SMILES notation for 1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one?
The canonical SMILES for 1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one is O=C1NC2C(=CC3=CC=CCC32)O1.
What is the InChIKey of 1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one?
The InChIKey is ZOCDGTZWQHXGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-11-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-3,5,7,9H,4H2,(H,11,12).
What are the key properties of 1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one?
1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one has a molecular weight of 175.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8a,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one is sourced from PubChem (CID 139821856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).