10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

C14H18N2O2 — CID 138008664

About 10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (PubChem CID 138008664) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

Molecular Properties

• Compound Name: 10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
• PubChem CID: 138008664
• Molecular Formula: C14H18N2O2
• Molecular Weight: 246.31 g/mol
• Exact Mass: 246.14
• IUPAC Name: 10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
• SMILES: CCN1C(=O)NC2CC1(C)Oc1cc(C)ccc12
• InChI: InChI=1S/C14H18N2O2/c1-4-16-13(17)15-11-8-14(16,3)18-12-7-9(2)5-6-10(11)12/h5-7,11H,4,8H2,1-3H3,(H,15,17)
• InChIKey: LQLHIXOQCYFEER-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.31
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

The IUPAC name of 10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (CID 138008664) is 10-ethyl-5,9-dimethyl-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-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

The canonical SMILES for 10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is CCN1C(=O)NC2CC1(C)Oc1cc(C)ccc12.

What is the InChIKey of 10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

The InChIKey is LQLHIXOQCYFEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-16-13(17)15-11-8-14(16,3)18-12-7-9(2)5-6-10(11)12/h5-7,11H,4,8H2,1-3H3,(H,15,17).

What are the key properties of 10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one has a molecular weight of 246.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-ethyl-5,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is sourced from PubChem (CID 138008664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).