10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

C15H19FN2O3 — CID 167777888

IUPAC10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCCOCCN1C(=O)NC2CC1(C)Oc1c(F)cccc12
InChIInChI=1S/C15H19FN2O3/c1-3-20-8-7-18-14(19)17-12-9-15(18,2)21-13-10(12)5-4-6-11(13)16/h4-6,12H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyDMUGFKLNRHAEAJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.43
Rot. Bonds4

About 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (PubChem CID 167777888) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

Molecular Properties

Compound Name10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
PubChem CID167777888
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCCOCCN1C(=O)NC2CC1(C)Oc1c(F)cccc12
InChIInChI=1S/C15H19FN2O3/c1-3-20-8-7-18-14(19)17-12-9-15(18,2)21-13-10(12)5-4-6-11(13)16/h4-6,12H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyDMUGFKLNRHAEAJ-UHFFFAOYSA-N
XLogP2.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The IUPAC name of 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (CID 167777888) is 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.
What is the SMILES notation for 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The canonical SMILES for 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is CCOCCN1C(=O)NC2CC1(C)Oc1c(F)cccc12.
What is the InChIKey of 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The InChIKey is DMUGFKLNRHAEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-3-20-8-7-18-14(19)17-12-9-15(18,2)21-13-10(12)5-4-6-11(13)16/h4-6,12H,3,7-9H2,1-2H3,(H,17,19).
What are the key properties of 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one has a molecular weight of 294.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-ethoxyethyl)-6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is sourced from PubChem (CID 167777888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).