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

C12H15NO — CID 89389775

IUPAC(3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
SMILESCC1(C)N[C@H]2c3ccccc3C[C@H]2O1
InChIInChI=1S/C12H15NO/c1-12(2)13-11-9-6-4-3-5-8(9)7-10(11)14-12/h3-6,10-11,13H,7H2,1-2H3/t10-,11+/m1/s1
InChIKeyMZDSQNBIXPRLQJ-MNOVXSKESA-N
MW189.26 g/mol
LogP2.01
Rot. Bonds

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

(3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole (PubChem CID 89389775) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
PubChem CID89389775
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
SMILESCC1(C)N[C@H]2c3ccccc3C[C@H]2O1
InChIInChI=1S/C12H15NO/c1-12(2)13-11-9-6-4-3-5-8(9)7-10(11)14-12/h3-6,10-11,13H,7H2,1-2H3/t10-,11+/m1/s1
InChIKeyMZDSQNBIXPRLQJ-MNOVXSKESA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 121233931
CID 121233931
CID 59694666
CID 59694666
(3aR,8bS)-2-methyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3,2]oxazaborole
CID 10888391
CID 23662091
CID 23662091
(3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione
CID 147368234
(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
CID 93492521
6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
CID 12522307
(3aS,8bR)-2-butyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3,2]oxazaborole;(3aS,8bR)-2-methyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3,2]oxazaborole
CID 158963489
1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
CID 23051140
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
(3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
CID 162275079
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole (CID 89389775) is (3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole is CC1(C)N[C@H]2c3ccccc3C[C@H]2O1.
What is the InChIKey of (3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole?
The InChIKey is MZDSQNBIXPRLQJ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)13-11-9-6-4-3-5-8(9)7-10(11)14-12/h3-6,10-11,13H,7H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole?
(3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 89389775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).