(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one

C10H9NO2 — CID 86752856

IUPAC(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one
SMILESO=C1N[C@@H]2Cc3ccccc3[C@@H]2O1
InChIInChI=1S/C10H9NO2/c12-10-11-8-5-6-3-1-2-4-7(6)9(8)13-10/h1-4,8-9H,5H2,(H,11,12)/t8-,9+/m1/s1
InChIKeyBSOXQXWJMKKIPN-BDAKNGLRSA-N
MW175.19 g/mol
LogP1.39
Rot. Bonds

About (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one

(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one (PubChem CID 86752856) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one
PubChem CID86752856
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one
SMILESO=C1N[C@@H]2Cc3ccccc3[C@@H]2O1
InChIInChI=1S/C10H9NO2/c12-10-11-8-5-6-3-1-2-4-7(6)9(8)13-10/h1-4,8-9H,5H2,(H,11,12)/t8-,9+/m1/s1
InChIKeyBSOXQXWJMKKIPN-BDAKNGLRSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(3aS-cis)-(-)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 10954036
(3aR-cis)-(+)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 11789720
1,3a,4,8b-Tetrahydroindeno[1,2-d]oxazol-2-one
CID 4377951
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174
(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone
CID 2733812
(4S,5S)-4-Methyl-5-phenyl-2-oxazolidinone
CID 11095183
(4R,5R)-4-Methyl-5-phenyl-2-oxazolidinone
CID 6544465
rac-tert-butyl N-((1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 165885854
6,7-Difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d]oxazol-2-one
CID 59401394
ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 123471771
[(1S,2R)-7-fluoro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 151206278

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one?
The IUPAC name of (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one (CID 86752856) is (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one.
What is the SMILES notation for (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one?
The canonical SMILES for (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one is O=C1N[C@@H]2Cc3ccccc3[C@@H]2O1.
What is the InChIKey of (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one?
The InChIKey is BSOXQXWJMKKIPN-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-11-8-5-6-3-1-2-4-7(6)9(8)13-10/h1-4,8-9H,5H2,(H,11,12)/t8-,9+/m1/s1.
What are the key properties of (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one?
(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one has a molecular weight of 175.19 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one is sourced from PubChem (CID 86752856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).