12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one

C16H19NO2 — CID 583069

IUPAC12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
SMILESCC1OC(=O)C2CCC3c4ccccc4CCN3C12
InChIInChI=1S/C16H19NO2/c1-10-15-13(16(18)19-10)6-7-14-12-5-3-2-4-11(12)8-9-17(14)15/h2-5,10,13-15H,6-9H2,1H3
InChIKeyRFAUXYMFAVVSFU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.31
Rot. Bonds

About 12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one

12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one (PubChem CID 583069) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one.

Molecular Properties

Compound Name12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
PubChem CID583069
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
SMILESCC1OC(=O)C2CCC3c4ccccc4CCN3C12
InChIInChI=1S/C16H19NO2/c1-10-15-13(16(18)19-10)6-7-14-12-5-3-2-4-11(12)8-9-17(14)15/h2-5,10,13-15H,6-9H2,1H3
InChIKeyRFAUXYMFAVVSFU-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
The IUPAC name of 12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one (CID 583069) is 12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one.
What is the SMILES notation for 12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
The canonical SMILES for 12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one is CC1OC(=O)C2CCC3c4ccccc4CCN3C12.
What is the InChIKey of 12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
The InChIKey is RFAUXYMFAVVSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-15-13(16(18)19-10)6-7-14-12-5-3-2-4-11(12)8-9-17(14)15/h2-5,10,13-15H,6-9H2,1H3.
What are the key properties of 12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one has a molecular weight of 257.33 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one is sourced from PubChem (CID 583069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).