ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate

C16H19NO3 — CID 15351009

IUPACethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate
SMILESCCOC(=O)C12CCC3(c4ccccc4)CC(C1)ON23
InChIInChI=1S/C16H19NO3/c1-2-19-14(18)16-9-8-15(12-6-4-3-5-7-12)10-13(11-16)20-17(15)16/h3-7,13H,2,8-11H2,1H3
InChIKeyHBUNNNDCFXKALX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.39
Rot. Bonds3

About ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate

ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate (PubChem CID 15351009) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate
PubChem CID15351009
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate
SMILESCCOC(=O)C12CCC3(c4ccccc4)CC(C1)ON23
InChIInChI=1S/C16H19NO3/c1-2-19-14(18)16-9-8-15(12-6-4-3-5-7-12)10-13(11-16)20-17(15)16/h3-7,13H,2,8-11H2,1H3
InChIKeyHBUNNNDCFXKALX-UHFFFAOYSA-N
XLogP2.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate?
The IUPAC name of ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate (CID 15351009) is ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate.
What is the SMILES notation for ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate?
The canonical SMILES for ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate is CCOC(=O)C12CCC3(c4ccccc4)CC(C1)ON23.
What is the InChIKey of ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate?
The InChIKey is HBUNNNDCFXKALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-19-14(18)16-9-8-15(12-6-4-3-5-7-12)10-13(11-16)20-17(15)16/h3-7,13H,2,8-11H2,1H3.
What are the key properties of ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate?
ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenyl-8-oxa-7-azatricyclo[4.2.1.03,7]nonane-3-carboxylate is sourced from PubChem (CID 15351009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).