13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione

C15H13NO3 — CID 110273833

IUPAC13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione
SMILESCC1C(=O)Oc2c1c(=O)n1c3c(cccc23)CCC1
InChIInChI=1S/C15H13NO3/c1-8-11-13(19-15(8)18)10-6-2-4-9-5-3-7-16(12(9)10)14(11)17/h2,4,6,8H,3,5,7H2,1H3
InChIKeyXWRRFZXBKHQUHS-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.97
Rot. Bonds

About 13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione

13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione (PubChem CID 110273833) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione.

Molecular Properties

Compound Name13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione
PubChem CID110273833
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione
SMILESCC1C(=O)Oc2c1c(=O)n1c3c(cccc23)CCC1
InChIInChI=1S/C15H13NO3/c1-8-11-13(19-15(8)18)10-6-2-4-9-5-3-7-16(12(9)10)14(11)17/h2,4,6,8H,3,5,7H2,1H3
InChIKeyXWRRFZXBKHQUHS-UHFFFAOYSA-N
XLogP1.97
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione?
The IUPAC name of 13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione (CID 110273833) is 13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione.
What is the SMILES notation for 13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione?
The canonical SMILES for 13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione is CC1C(=O)Oc2c1c(=O)n1c3c(cccc23)CCC1.
What is the InChIKey of 13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione?
The InChIKey is XWRRFZXBKHQUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-8-11-13(19-15(8)18)10-6-2-4-9-5-3-7-16(12(9)10)14(11)17/h2,4,6,8H,3,5,7H2,1H3.
What are the key properties of 13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione?
13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione has a molecular weight of 255.27 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-11-oxa-1-azatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14)-tetraene-12,15-dione is sourced from PubChem (CID 110273833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).