ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene

C14H27NO — CID 143146527

IUPACethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene
SMILESCC.CC.CCC1=NOC2C=C1CCCC2
InChIInChI=1S/C10H15NO.2C2H6/c1-2-10-8-5-3-4-6-9(7-8)12-11-10;2*1-2/h7,9H,2-6H2,1H3;2*1-2H3
InChIKeyHJIXZQLELGRNDA-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.70
Rot. Bonds1

About ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene

ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene (PubChem CID 143146527) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene.

Molecular Properties

Compound Nameethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene
PubChem CID143146527
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene
SMILESCC.CC.CCC1=NOC2C=C1CCCC2
InChIInChI=1S/C10H15NO.2C2H6/c1-2-10-8-5-3-4-6-9(7-8)12-11-10;2*1-2/h7,9H,2-6H2,1H3;2*1-2H3
InChIKeyHJIXZQLELGRNDA-UHFFFAOYSA-N
XLogP4.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene?
The IUPAC name of ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene (CID 143146527) is ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene.
What is the SMILES notation for ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene?
The canonical SMILES for ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene is CC.CC.CCC1=NOC2C=C1CCCC2.
What is the InChIKey of ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene?
The InChIKey is HJIXZQLELGRNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.2C2H6/c1-2-10-8-5-3-4-6-9(7-8)12-11-10;2*1-2/h7,9H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene?
ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene has a molecular weight of 225.38 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethyl-7-oxa-8-azabicyclo[4.3.1]deca-1(10),8-diene is sourced from PubChem (CID 143146527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).