15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene

C15H19NO — CID 156782842

IUPAC15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
SMILESCC12CCOC1N1CCCCc3cccc2c31
InChIInChI=1S/C15H19NO/c1-15-8-10-17-14(15)16-9-3-2-5-11-6-4-7-12(15)13(11)16/h4,6-7,14H,2-3,5,8-10H2,1H3
InChIKeyAGDMWDVZXHJZHU-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.85
Rot. Bonds

About 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene

15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene (PubChem CID 156782842) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene.

Molecular Properties

Compound Name15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
PubChem CID156782842
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
SMILESCC12CCOC1N1CCCCc3cccc2c31
InChIInChI=1S/C15H19NO/c1-15-8-10-17-14(15)16-9-3-2-5-11-6-4-7-12(15)13(11)16/h4,6-7,14H,2-3,5,8-10H2,1H3
InChIKeyAGDMWDVZXHJZHU-UHFFFAOYSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene with MolForge

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Related Compounds

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(3R)-3-ethyl-3-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
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2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
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1-(1-methyl-2,3-dihydroindol-7-yl)cyclopropan-1-ol
CID 117281567
3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
CID 118423664
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Frequently Asked Questions

What is the IUPAC name of 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
The IUPAC name of 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene (CID 156782842) is 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene.
What is the SMILES notation for 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
The canonical SMILES for 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene is CC12CCOC1N1CCCCc3cccc2c31.
What is the InChIKey of 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
The InChIKey is AGDMWDVZXHJZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15-8-10-17-14(15)16-9-3-2-5-11-6-4-7-12(15)13(11)16/h4,6-7,14H,2-3,5,8-10H2,1H3.
What are the key properties of 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene?
15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene has a molecular weight of 229.32 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-12-oxa-10-azatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene is sourced from PubChem (CID 156782842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).