(10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene

C14H18N2O — CID 178095459

IUPAC(10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
SMILESC[C@@]12CNCC[C@@H]1N1CCOc3cccc2c31
InChIInChI=1S/C14H18N2O/c1-14-9-15-6-5-12(14)16-7-8-17-11-4-2-3-10(14)13(11)16/h2-4,12,15H,5-9H2,1H3/t12-,14-/m0/s1
InChIKeyJQKBGOJIALNWMG-JSGCOSHPSA-N
MW230.31 g/mol
LogP1.52
Rot. Bonds

About (10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene

(10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene (PubChem CID 178095459) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene.

Molecular Properties

Compound Name(10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
PubChem CID178095459
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
SMILESC[C@@]12CNCC[C@@H]1N1CCOc3cccc2c31
InChIInChI=1S/C14H18N2O/c1-14-9-15-6-5-12(14)16-7-8-17-11-4-2-3-10(14)13(11)16/h2-4,12,15H,5-9H2,1H3/t12-,14-/m0/s1
InChIKeyJQKBGOJIALNWMG-JSGCOSHPSA-N
XLogP1.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene?
The IUPAC name of (10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene (CID 178095459) is (10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene.
What is the SMILES notation for (10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene?
The canonical SMILES for (10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene is C[C@@]12CNCC[C@@H]1N1CCOc3cccc2c31.
What is the InChIKey of (10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene?
The InChIKey is JQKBGOJIALNWMG-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14-9-15-6-5-12(14)16-7-8-17-11-4-2-3-10(14)13(11)16/h2-4,12,15H,5-9H2,1H3/t12-,14-/m0/s1.
What are the key properties of (10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene?
(10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene has a molecular weight of 230.31 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,15S)-10-methyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene is sourced from PubChem (CID 178095459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).