11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one

C14H17NO2 — CID 163795739

IUPAC11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one
SMILESCCOc1ccc2c(c1)NCC(=O)CC1CC21
InChIInChI=1S/C14H17NO2/c1-2-17-11-3-4-12-13-6-9(13)5-10(16)8-15-14(12)7-11/h3-4,7,9,13,15H,2,5-6,8H2,1H3
InChIKeyNAPKUCRUSFQPEI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.57
Rot. Bonds2

About 11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one

11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one (PubChem CID 163795739) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one.

Molecular Properties

Compound Name11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one
PubChem CID163795739
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one
SMILESCCOc1ccc2c(c1)NCC(=O)CC1CC21
InChIInChI=1S/C14H17NO2/c1-2-17-11-3-4-12-13-6-9(13)5-10(16)8-15-14(12)7-11/h3-4,7,9,13,15H,2,5-6,8H2,1H3
InChIKeyNAPKUCRUSFQPEI-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one?
The IUPAC name of 11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one (CID 163795739) is 11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one.
What is the SMILES notation for 11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one?
The canonical SMILES for 11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one is CCOc1ccc2c(c1)NCC(=O)CC1CC21.
What is the InChIKey of 11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one?
The InChIKey is NAPKUCRUSFQPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-17-11-3-4-12-13-6-9(13)5-10(16)8-15-14(12)7-11/h3-4,7,9,13,15H,2,5-6,8H2,1H3.
What are the key properties of 11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one?
11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one has a molecular weight of 231.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethoxy-8-azatricyclo[7.4.0.02,4]trideca-1(9),10,12-trien-6-one is sourced from PubChem (CID 163795739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).