3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole

C6H9NO — CID 163739592

IUPAC3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole
SMILESC1CC2=C(C1)ONC2
InChIInChI=1S/C6H9NO/c1-2-5-4-7-8-6(5)3-1/h7H,1-4H2
InChIKeyLGPNZCGWJSGUNH-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.96
Rot. Bonds

About 3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole

3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole (PubChem CID 163739592) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole
PubChem CID163739592
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole
SMILESC1CC2=C(C1)ONC2
InChIInChI=1S/C6H9NO/c1-2-5-4-7-8-6(5)3-1/h7H,1-4H2
InChIKeyLGPNZCGWJSGUNH-UHFFFAOYSA-N
XLogP0.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole?
The IUPAC name of 3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole (CID 163739592) is 3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole is C1CC2=C(C1)ONC2.
What is the InChIKey of 3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole?
The InChIKey is LGPNZCGWJSGUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-5-4-7-8-6(5)3-1/h7H,1-4H2.
What are the key properties of 3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole?
3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole has a molecular weight of 111.14 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-2H-cyclopenta[d][1,2]oxazole is sourced from PubChem (CID 163739592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).