6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene

C19H15NO2 — CID 158895580

IUPAC6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene
SMILESC=C1Oc2nc3occ(C)c3cc2C(c2ccccc2)=C1C
InChIInChI=1S/C19H15NO2/c1-11-10-21-18-15(11)9-16-17(14-7-5-4-6-8-14)12(2)13(3)22-19(16)20-18/h4-10H,3H2,1-2H3
InChIKeyJEUDCKVXLZQFCC-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.86
Rot. Bonds1

About 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene

6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene (PubChem CID 158895580) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene.

Molecular Properties

Compound Name6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene
PubChem CID158895580
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene
SMILESC=C1Oc2nc3occ(C)c3cc2C(c2ccccc2)=C1C
InChIInChI=1S/C19H15NO2/c1-11-10-21-18-15(11)9-16-17(14-7-5-4-6-8-14)12(2)13(3)22-19(16)20-18/h4-10H,3H2,1-2H3
InChIKeyJEUDCKVXLZQFCC-UHFFFAOYSA-N
XLogP4.86
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene with MolForge

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Related Compounds

6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
CID 122537723
6,11-dimethyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
CID 122537725
3,6-dimethylfuro[2,3-b]pyridine
CID 58047057
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CID 154968471
2-methyl-5-phenylfuro[2,3-d]pyrimidin-4-amine
CID 165488972
trimethyl-(1-methylidene-3-phenylinden-2-yl)silane
CID 102084472
7-chloro-3-methyl-5-phenyl-1-benzofuran
CID 114722792
5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride
CID 43866018
2,3-dimethyl-6,7-diphenylquinoxaline
CID 163197223
2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline
CID 102335309
1-methylbenzo[e][1]benzofuran
CID 13085655
3,8-dimethyl-5,6-diphenylbenzo[b][1]benzoxepine
CID 13167351

Frequently Asked Questions

What is the IUPAC name of 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene?
The IUPAC name of 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene (CID 158895580) is 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene.
What is the SMILES notation for 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene?
The canonical SMILES for 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene is C=C1Oc2nc3occ(C)c3cc2C(c2ccccc2)=C1C.
What is the InChIKey of 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene?
The InChIKey is JEUDCKVXLZQFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-11-10-21-18-15(11)9-16-17(14-7-5-4-6-8-14)12(2)13(3)22-19(16)20-18/h4-10H,3H2,1-2H3.
What are the key properties of 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene?
6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene has a molecular weight of 289.33 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dimethyl-12-methylidene-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaene is sourced from PubChem (CID 158895580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).