9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene

C17H15NO — CID 166441459

IUPAC9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene
SMILESCN1Cc2ccccc2-c2ccc3occc3c2C1
InChIInChI=1S/C17H15NO/c1-18-10-12-4-2-3-5-13(12)14-6-7-17-15(8-9-19-17)16(14)11-18/h2-9H,10-11H2,1H3
InChIKeyVRSSNYFHVGHAJD-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.05
Rot. Bonds

About 9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene

9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene (PubChem CID 166441459) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene.

Molecular Properties

Compound Name9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene
PubChem CID166441459
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene
SMILESCN1Cc2ccccc2-c2ccc3occc3c2C1
InChIInChI=1S/C17H15NO/c1-18-10-12-4-2-3-5-13(12)14-6-7-17-15(8-9-19-17)16(14)11-18/h2-9H,10-11H2,1H3
InChIKeyVRSSNYFHVGHAJD-UHFFFAOYSA-N
XLogP4.05
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene?
The IUPAC name of 9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene (CID 166441459) is 9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene.
What is the SMILES notation for 9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene?
The canonical SMILES for 9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene is CN1Cc2ccccc2-c2ccc3occc3c2C1.
What is the InChIKey of 9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene?
The InChIKey is VRSSNYFHVGHAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-18-10-12-4-2-3-5-13(12)14-6-7-17-15(8-9-19-17)16(14)11-18/h2-9H,10-11H2,1H3.
What are the key properties of 9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene?
9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene has a molecular weight of 249.31 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-15-oxa-9-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaene is sourced from PubChem (CID 166441459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).