(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole

C10H11NO — CID 134964867

IUPAC(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)C[C@@H]1OCN[C@H]21
InChIInChI=1S/C10H11NO/c1-2-4-8-7(3-1)5-9-10(8)11-6-12-9/h1-4,9-11H,5-6H2/t9-,10+/m0/s1
InChIKeyXTHNFYXHAFOZOE-VHSXEESVSA-N
MW161.20 g/mol
LogP1.23
Rot. Bonds

About (3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole

(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole (PubChem CID 134964867) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole
PubChem CID134964867
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)C[C@@H]1OCN[C@H]21
InChIInChI=1S/C10H11NO/c1-2-4-8-7(3-1)5-9-10(8)11-6-12-9/h1-4,9-11H,5-6H2/t9-,10+/m0/s1
InChIKeyXTHNFYXHAFOZOE-VHSXEESVSA-N
XLogP1.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole (CID 134964867) is (3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole is c1ccc2c(c1)C[C@@H]1OCN[C@H]21.
What is the InChIKey of (3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
The InChIKey is XTHNFYXHAFOZOE-VHSXEESVSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-8-7(3-1)5-9-10(8)11-6-12-9/h1-4,9-11H,5-6H2/t9-,10+/m0/s1.
What are the key properties of (3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole?
(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole has a molecular weight of 161.20 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 134964867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).