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

C17H21NO2 — CID 608060

IUPAC12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
SMILESCC1OC(=O)C2(C)CCC3c4ccccc4CCN3C12
InChIInChI=1S/C17H21NO2/c1-11-15-17(2,16(19)20-11)9-7-14-13-6-4-3-5-12(13)8-10-18(14)15/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeySDZGJSXWMYPUNQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.70
Rot. Bonds

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

12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one (PubChem CID 608060) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one.

Molecular Properties

Compound Name12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
PubChem CID608060
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
SMILESCC1OC(=O)C2(C)CCC3c4ccccc4CCN3C12
InChIInChI=1S/C17H21NO2/c1-11-15-17(2,16(19)20-11)9-7-14-13-6-4-3-5-12(13)8-10-18(14)15/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeySDZGJSXWMYPUNQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
The IUPAC name of 12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one (CID 608060) is 12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one.
What is the SMILES notation for 12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
The canonical SMILES for 12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one is CC1OC(=O)C2(C)CCC3c4ccccc4CCN3C12.
What is the InChIKey of 12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
The InChIKey is SDZGJSXWMYPUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-15-17(2,16(19)20-11)9-7-14-13-6-4-3-5-12(13)8-10-18(14)15/h3-6,11,14-15H,7-10H2,1-2H3.
What are the key properties of 12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one has a molecular weight of 271.36 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15-dimethyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one is sourced from PubChem (CID 608060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).