ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione

C13H13NO4 — CID 153362053

IUPACethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione
SMILESCC.Cc1cc2c(=O)[nH]c(=O)c3ccoc3c2o1
InChIInChI=1S/C11H7NO4.C2H6/c1-5-4-7-9(16-5)8-6(2-3-15-8)10(13)12-11(7)14;1-2/h2-4H,1H3,(H,12,13,14);1-2H3
InChIKeyROKJUNONJCUXCS-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.56
Rot. Bonds

About ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione

ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione (PubChem CID 153362053) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione.

Molecular Properties

Compound Nameethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione
PubChem CID153362053
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Nameethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione
SMILESCC.Cc1cc2c(=O)[nH]c(=O)c3ccoc3c2o1
InChIInChI=1S/C11H7NO4.C2H6/c1-5-4-7-9(16-5)8-6(2-3-15-8)10(13)12-11(7)14;1-2/h2-4H,1H3,(H,12,13,14);1-2H3
InChIKeyROKJUNONJCUXCS-UHFFFAOYSA-N
XLogP2.56
TPSA76.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione with MolForge

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Related Compounds

4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
CID 143290579
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
5-methyl-6H-furo[2,3-c]pyridin-7-one
CID 143293213
4-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
CID 167236717
6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one
CID 162383554
3,7-dimethylpyrano[4,3-c]pyran-1,5-dione
CID 58212109
4,8-dimethylfuro[2,3-f][1]benzofuran
CID 130182469
6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
CID 126745004
5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
CID 156725009
ethane;4-methoxy-7-methyl-9-prop-2-ynoxyfuro[3,2-g]chromen-5-one
CID 143652322
4-methylfuro[3,2-e][1]benzofuran
CID 170151915
ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione
CID 153362051

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione?
The IUPAC name of ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione (CID 153362053) is ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione.
What is the SMILES notation for ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione?
The canonical SMILES for ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione is CC.Cc1cc2c(=O)[nH]c(=O)c3ccoc3c2o1.
What is the InChIKey of ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione?
The InChIKey is ROKJUNONJCUXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4.C2H6/c1-5-4-7-9(16-5)8-6(2-3-15-8)10(13)12-11(7)14;1-2/h2-4H,1H3,(H,12,13,14);1-2H3.
What are the key properties of ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione?
ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione has a molecular weight of 247.25 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,13-dioxa-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione is sourced from PubChem (CID 153362053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).