7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene

C14H16N2O — CID 101034091

IUPAC7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene
SMILESCN1CCc2c[nH]c3ccc4c(c23)C1CCO4
InChIInChI=1S/C14H16N2O/c1-16-6-4-9-8-15-10-2-3-12-14(13(9)10)11(16)5-7-17-12/h2-3,8,11,15H,4-7H2,1H3
InChIKeyUQGLOLXMOVEIJD-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.48
Rot. Bonds

About 7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene

7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene (PubChem CID 101034091) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene.

Molecular Properties

Compound Name7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene
PubChem CID101034091
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene
SMILESCN1CCc2c[nH]c3ccc4c(c23)C1CCO4
InChIInChI=1S/C14H16N2O/c1-16-6-4-9-8-15-10-2-3-12-14(13(9)10)11(16)5-7-17-12/h2-3,8,11,15H,4-7H2,1H3
InChIKeyUQGLOLXMOVEIJD-UHFFFAOYSA-N
XLogP2.48
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene?
The IUPAC name of 7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene (CID 101034091) is 7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene.
What is the SMILES notation for 7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene?
The canonical SMILES for 7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene is CN1CCc2c[nH]c3ccc4c(c23)C1CCO4.
What is the InChIKey of 7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene?
The InChIKey is UQGLOLXMOVEIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16-6-4-9-8-15-10-2-3-12-14(13(9)10)11(16)5-7-17-12/h2-3,8,11,15H,4-7H2,1H3.
What are the key properties of 7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene?
7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene has a molecular weight of 228.29 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-11-oxa-2,7-diazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),3,12(16),13-tetraene is sourced from PubChem (CID 101034091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).