2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole

C10H9NO — CID 175028747

IUPAC2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole
SMILESC1=CCC2=C3NCOC3=CC2=C1
InChIInChI=1S/C10H9NO/c1-2-4-8-7(3-1)5-9-10(8)11-6-12-9/h1-3,5,11H,4,6H2
InChIKeyZZOWPWLUTPOWJC-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.60
Rot. Bonds

About 2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole

2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole (PubChem CID 175028747) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole
PubChem CID175028747
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole
SMILESC1=CCC2=C3NCOC3=CC2=C1
InChIInChI=1S/C10H9NO/c1-2-4-8-7(3-1)5-9-10(8)11-6-12-9/h1-3,5,11H,4,6H2
InChIKeyZZOWPWLUTPOWJC-UHFFFAOYSA-N
XLogP1.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethane;2,3,5,6-tetrahydro-1,3-benzoxazole
CID 145267149
2,3,5,6-Tetrahydro-1,3-benzoxazole
CID 145267150
(3aE,9E)-6-methyl-2,3-dihydrocycloocta[d][1,3]oxazole
CID 173687881

Frequently Asked Questions

What is the IUPAC name of 2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole?
The IUPAC name of 2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole (CID 175028747) is 2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for 2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for 2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole is C1=CCC2=C3NCOC3=CC2=C1.
What is the InChIKey of 2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole?
The InChIKey is ZZOWPWLUTPOWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-8-7(3-1)5-9-10(8)11-6-12-9/h1-3,5,11H,4,6H2.
What are the key properties of 2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole?
2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole has a molecular weight of 159.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 175028747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).