3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene

C15H13NO — CID 171578726

IUPAC3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene
SMILESCC1=CC2Oc3cccc4c3=C2C(=C1)N(C)C=4
InChIInChI=1S/C15H13NO/c1-9-6-11-15-13(7-9)17-12-5-3-4-10(14(12)15)8-16(11)2/h3-8,13H,1-2H3
InChIKeySEDKKZYIZKVGLP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.13
Rot. Bonds

About 3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene

3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene (PubChem CID 171578726) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene.

Molecular Properties

Compound Name3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene
PubChem CID171578726
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene
SMILESCC1=CC2Oc3cccc4c3=C2C(=C1)N(C)C=4
InChIInChI=1S/C15H13NO/c1-9-6-11-15-13(7-9)17-12-5-3-4-10(14(12)15)8-16(11)2/h3-8,13H,1-2H3
InChIKeySEDKKZYIZKVGLP-UHFFFAOYSA-N
XLogP1.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene?
The IUPAC name of 3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene (CID 171578726) is 3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene.
What is the SMILES notation for 3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene?
The canonical SMILES for 3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene is CC1=CC2Oc3cccc4c3=C2C(=C1)N(C)C=4.
What is the InChIKey of 3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene?
The InChIKey is SEDKKZYIZKVGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-9-6-11-15-13(7-9)17-12-5-3-4-10(14(12)15)8-16(11)2/h3-8,13H,1-2H3.
What are the key properties of 3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene?
3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene has a molecular weight of 223.28 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-15-oxa-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,7,9,11,13-hexaene is sourced from PubChem (CID 171578726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).