8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one

C16H18N2O2 — CID 746043

IUPAC8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
SMILESCN(C)c1ccc2c3c(ccc(N(C)C)c13)C(=O)OC2
InChIInChI=1S/C16H18N2O2/c1-17(2)12-7-5-10-9-20-16(19)11-6-8-13(18(3)4)15(12)14(10)11/h5-8H,9H2,1-4H3
InChIKeyGIBDDRPCLFVDKU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.64
Rot. Bonds2

About 8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one

8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one (PubChem CID 746043) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one.

Molecular Properties

Compound Name8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
PubChem CID746043
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
SMILESCN(C)c1ccc2c3c(ccc(N(C)C)c13)C(=O)OC2
InChIInChI=1S/C16H18N2O2/c1-17(2)12-7-5-10-9-20-16(19)11-6-8-13(18(3)4)15(12)14(10)11/h5-8H,9H2,1-4H3
InChIKeyGIBDDRPCLFVDKU-UHFFFAOYSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one?
The IUPAC name of 8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one (CID 746043) is 8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one.
What is the SMILES notation for 8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one?
The canonical SMILES for 8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one is CN(C)c1ccc2c3c(ccc(N(C)C)c13)C(=O)OC2.
What is the InChIKey of 8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one?
The InChIKey is GIBDDRPCLFVDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17(2)12-7-5-10-9-20-16(19)11-6-8-13(18(3)4)15(12)14(10)11/h5-8H,9H2,1-4H3.
What are the key properties of 8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one?
8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-bis(dimethylamino)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one is sourced from PubChem (CID 746043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).