4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol

C7H11NO2 — CID 12794208

IUPAC4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol
SMILESOCC1=NOC2CCCC12
InChIInChI=1S/C7H11NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h5,7,9H,1-4H2
InChIKeyJWPXWQQXJHQIEA-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.53
Rot. Bonds1

About 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol

4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol (PubChem CID 12794208) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol.

Molecular Properties

Compound Name4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol
PubChem CID12794208
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol
SMILESOCC1=NOC2CCCC12
InChIInChI=1S/C7H11NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h5,7,9H,1-4H2
InChIKeyJWPXWQQXJHQIEA-UHFFFAOYSA-N
XLogP0.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol?
The IUPAC name of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol (CID 12794208) is 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol.
What is the SMILES notation for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol?
The canonical SMILES for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol is OCC1=NOC2CCCC12.
What is the InChIKey of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol?
The InChIKey is JWPXWQQXJHQIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h5,7,9H,1-4H2.
What are the key properties of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol?
4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol has a molecular weight of 141.17 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-ylmethanol is sourced from PubChem (CID 12794208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).