11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one

C17H15NO2 — CID 135009590

IUPAC11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one
SMILESCc1cc2c3c(c1)-c1ccccc1CN3C(=O)C(C)O2
InChIInChI=1S/C17H15NO2/c1-10-7-14-13-6-4-3-5-12(13)9-18-16(14)15(8-10)20-11(2)17(18)19/h3-8,11H,9H2,1-2H3
InChIKeyCHKRTUDIMAUTAZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.29
Rot. Bonds

About 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one

11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one (PubChem CID 135009590) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one.

Molecular Properties

Compound Name11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one
PubChem CID135009590
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one
SMILESCc1cc2c3c(c1)-c1ccccc1CN3C(=O)C(C)O2
InChIInChI=1S/C17H15NO2/c1-10-7-14-13-6-4-3-5-12(13)9-18-16(14)15(8-10)20-11(2)17(18)19/h3-8,11H,9H2,1-2H3
InChIKeyCHKRTUDIMAUTAZ-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one with MolForge

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Related Compounds

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2,5-dimethyl-6H-phenanthridine
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(3S)-1,7-diazapentacyclo[11.7.1.03,7.09,21.014,19]henicosa-9,11,13(21),14,16,18-hexaene-2,8-dione
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Frequently Asked Questions

What is the IUPAC name of 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one?
The IUPAC name of 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one (CID 135009590) is 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one.
What is the SMILES notation for 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one?
The canonical SMILES for 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one is Cc1cc2c3c(c1)-c1ccccc1CN3C(=O)C(C)O2.
What is the InChIKey of 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one?
The InChIKey is CHKRTUDIMAUTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-10-7-14-13-6-4-3-5-12(13)9-18-16(14)15(8-10)20-11(2)17(18)19/h3-8,11H,9H2,1-2H3.
What are the key properties of 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one?
11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one has a molecular weight of 265.31 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-dimethyl-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-10-one is sourced from PubChem (CID 135009590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).