5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane

C8H15NO — CID 21355469

IUPAC5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1CO2
InChIInChI=1S/C8H15NO/c1-6(2)9-4-8-3-7(9)5-10-8/h6-8H,3-5H2,1-2H3
InChIKeyHTKMNSJFUGCRHM-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.87
Rot. Bonds1

About 5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane

5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 21355469) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID21355469
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1CO2
InChIInChI=1S/C8H15NO/c1-6(2)9-4-8-3-7(9)5-10-8/h6-8H,3-5H2,1-2H3
InChIKeyHTKMNSJFUGCRHM-UHFFFAOYSA-N
XLogP0.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 21355469) is 5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane is CC(C)N1CC2CC1CO2.
What is the InChIKey of 5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is HTKMNSJFUGCRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)9-4-8-3-7(9)5-10-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 21355469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).