11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one

C12H11NO2 — CID 146319575

IUPAC11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
SMILESCc1cn2c3c(cccc3c1=O)OCC2
InChIInChI=1S/C12H11NO2/c1-8-7-13-5-6-15-10-4-2-3-9(11(10)13)12(8)14/h2-4,7H,5-6H2,1H3
InChIKeyHIPGABWFUSFDHH-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.70
Rot. Bonds

About 11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one

11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one (PubChem CID 146319575) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one.

Molecular Properties

Compound Name11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
PubChem CID146319575
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
SMILESCc1cn2c3c(cccc3c1=O)OCC2
InChIInChI=1S/C12H11NO2/c1-8-7-13-5-6-15-10-4-2-3-9(11(10)13)12(8)14/h2-4,7H,5-6H2,1H3
InChIKeyHIPGABWFUSFDHH-UHFFFAOYSA-N
XLogP1.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The IUPAC name of 11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one (CID 146319575) is 11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one.
What is the SMILES notation for 11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The canonical SMILES for 11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one is Cc1cn2c3c(cccc3c1=O)OCC2.
What is the InChIKey of 11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The InChIKey is HIPGABWFUSFDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-7-13-5-6-15-10-4-2-3-9(11(10)13)12(8)14/h2-4,7H,5-6H2,1H3.
What are the key properties of 11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one has a molecular weight of 201.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one is sourced from PubChem (CID 146319575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).