5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane

C8H15NO — CID 130748392

IUPAC5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESCCCN1CCOC2CC21
InChIInChI=1S/C8H15NO/c1-2-3-9-4-5-10-8-6-7(8)9/h7-8H,2-6H2,1H3
InChIKeyJMOXDHYMLXHUIK-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.87
Rot. Bonds2

About 5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane

5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 130748392) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID130748392
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESCCCN1CCOC2CC21
InChIInChI=1S/C8H15NO/c1-2-3-9-4-5-10-8-6-7(8)9/h7-8H,2-6H2,1H3
InChIKeyJMOXDHYMLXHUIK-UHFFFAOYSA-N
XLogP0.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-propyl-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of 5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane (CID 130748392) is 5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for 5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane is CCCN1CCOC2CC21.
What is the InChIKey of 5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is JMOXDHYMLXHUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-9-4-5-10-8-6-7(8)9/h7-8H,2-6H2,1H3.
What are the key properties of 5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane?
5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 130748392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).