6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane

C8H15NO — CID 174638444

IUPAC6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane
SMILESCCCC12CCCCN1O2
InChIInChI=1S/C8H15NO/c1-2-5-8-6-3-4-7-9(8)10-8/h2-7H2,1H3
InChIKeyKLDROOLQSIEUEC-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.91
Rot. Bonds2

About 6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane

6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane (PubChem CID 174638444) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane
PubChem CID174638444
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane
SMILESCCCC12CCCCN1O2
InChIInChI=1S/C8H15NO/c1-2-5-8-6-3-4-7-9(8)10-8/h2-7H2,1H3
InChIKeyKLDROOLQSIEUEC-UHFFFAOYSA-N
XLogP1.91
TPSA15.54 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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane?
The IUPAC name of 6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane (CID 174638444) is 6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane?
The canonical SMILES for 6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane is CCCC12CCCCN1O2.
What is the InChIKey of 6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane?
The InChIKey is KLDROOLQSIEUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-5-8-6-3-4-7-9(8)10-8/h2-7H2,1H3.
What are the key properties of 6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane?
6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane has a molecular weight of 141.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-7-oxa-1-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 174638444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).