1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol

C10H19NO2 — CID 63930034

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CC2CCC1C2
InChIInChI=1S/C10H19NO2/c1-13-7-10(12)6-11-5-8-2-3-9(11)4-8/h8-10,12H,2-7H2,1H3
InChIKeyQWLGAEMRURTORO-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.48
Rot. Bonds4

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol

1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol (PubChem CID 63930034) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol
PubChem CID63930034
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CC2CCC1C2
InChIInChI=1S/C10H19NO2/c1-13-7-10(12)6-11-5-8-2-3-9(11)4-8/h8-10,12H,2-7H2,1H3
InChIKeyQWLGAEMRURTORO-UHFFFAOYSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol (CID 63930034) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol is COCC(O)CN1CC2CCC1C2.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol?
The InChIKey is QWLGAEMRURTORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-13-7-10(12)6-11-5-8-2-3-9(11)4-8/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol has a molecular weight of 185.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 63930034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).