15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene

C13H9NO2 — CID 118370842

IUPAC15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
SMILESCn1c2ccoc2c2oc3ccccc3c21
InChIInChI=1S/C13H9NO2/c1-14-9-6-7-15-12(9)13-11(14)8-4-2-3-5-10(8)16-13/h2-7H,1H3
InChIKeyNUZIGYAHWANZKO-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.67
Rot. Bonds

About 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene

15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene (PubChem CID 118370842) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene.

Molecular Properties

Compound Name15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
PubChem CID118370842
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
SMILESCn1c2ccoc2c2oc3ccccc3c21
InChIInChI=1S/C13H9NO2/c1-14-9-6-7-15-12(9)13-11(14)8-4-2-3-5-10(8)16-13/h2-7H,1H3
InChIKeyNUZIGYAHWANZKO-UHFFFAOYSA-N
XLogP3.67
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene with MolForge

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Related Compounds

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CID 143805499
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3-methyl-14-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
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Frequently Asked Questions

What is the IUPAC name of 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The IUPAC name of 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene (CID 118370842) is 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene.
What is the SMILES notation for 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The canonical SMILES for 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene is Cn1c2ccoc2c2oc3ccccc3c21.
What is the InChIKey of 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The InChIKey is NUZIGYAHWANZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c1-14-9-6-7-15-12(9)13-11(14)8-4-2-3-5-10(8)16-13/h2-7H,1H3.
What are the key properties of 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene has a molecular weight of 211.22 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-8,11-dioxa-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene is sourced from PubChem (CID 118370842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).