[(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol

C7H11NO2 — CID 10898809

IUPAC[(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol
SMILESOCC1=NO[C@@H]2CCC[C@H]12
InChIInChI=1S/C7H11NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h5,7,9H,1-4H2/t5-,7-/m1/s1
InChIKeyJWPXWQQXJHQIEA-IYSWYEEDSA-N
MW141.17 g/mol
LogP0.53
Rot. Bonds1

About [(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol

[(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol (PubChem CID 10898809) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol.

Molecular Properties

Compound Name[(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol
PubChem CID10898809
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol
SMILESOCC1=NO[C@@H]2CCC[C@H]12
InChIInChI=1S/C7H11NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h5,7,9H,1-4H2/t5-,7-/m1/s1
InChIKeyJWPXWQQXJHQIEA-IYSWYEEDSA-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 [(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol?
The IUPAC name of [(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol (CID 10898809) is [(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol.
What is the SMILES notation for [(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol?
The canonical SMILES for [(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol is OCC1=NO[C@@H]2CCC[C@H]12.
What is the InChIKey of [(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol?
The InChIKey is JWPXWQQXJHQIEA-IYSWYEEDSA-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/t5-,7-/m1/s1.
What are the key properties of [(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol?
[(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol 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 [(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol is sourced from PubChem (CID 10898809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).