4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol

C9H15NO3 — CID 131142265

IUPAC4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol
SMILESOC1COCC1N1CC2CC1CO2
InChIInChI=1S/C9H15NO3/c11-9-5-12-4-8(9)10-2-7-1-6(10)3-13-7/h6-9,11H,1-5H2
InChIKeyMHFQVTZEUGHFCF-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.78
Rot. Bonds1

About 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol

4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol (PubChem CID 131142265) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol.

Molecular Properties

Compound Name4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol
PubChem CID131142265
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol
SMILESOC1COCC1N1CC2CC1CO2
InChIInChI=1S/C9H15NO3/c11-9-5-12-4-8(9)10-2-7-1-6(10)3-13-7/h6-9,11H,1-5H2
InChIKeyMHFQVTZEUGHFCF-UHFFFAOYSA-N
XLogP-0.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol?
The IUPAC name of 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol (CID 131142265) is 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol.
What is the SMILES notation for 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol?
The canonical SMILES for 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol is OC1COCC1N1CC2CC1CO2.
What is the InChIKey of 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol?
The InChIKey is MHFQVTZEUGHFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-9-5-12-4-8(9)10-2-7-1-6(10)3-13-7/h6-9,11H,1-5H2.
What are the key properties of 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol?
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol has a molecular weight of 185.22 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxolan-3-ol is sourced from PubChem (CID 131142265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).