(2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene

C18H19N — CID 126630598

IUPAC(2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene
SMILESC=C1/C=C\C/C(C)=N\C2=C3C=CC=C/C(=C/C)[C@H]3C12
InChIInChI=1S/C18H19N/c1-4-14-10-5-6-11-15-17(14)16-12(2)8-7-9-13(3)19-18(15)16/h4-8,10-11,16-17H,2,9H2,1,3H3/b8-7-,14-4-,19-13-/t16?,17-/m1/s1
InChIKeyYNAFEAVIUZUQMX-AWKRYSKYSA-N
MW249.36 g/mol
LogP4.54
Rot. Bonds

About (2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene

(2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene (PubChem CID 126630598) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene.

Molecular Properties

Compound Name(2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene
PubChem CID126630598
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene
SMILESC=C1/C=C\C/C(C)=N\C2=C3C=CC=C/C(=C/C)[C@H]3C12
InChIInChI=1S/C18H19N/c1-4-14-10-5-6-11-15-17(14)16-12(2)8-7-9-13(3)19-18(15)16/h4-8,10-11,16-17H,2,9H2,1,3H3/b8-7-,14-4-,19-13-/t16?,17-/m1/s1
InChIKeyYNAFEAVIUZUQMX-AWKRYSKYSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene?
The IUPAC name of (2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene (CID 126630598) is (2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene.
What is the SMILES notation for (2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene?
The canonical SMILES for (2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene is C=C1/C=C\C/C(C)=N\C2=C3C=CC=C/C(=C/C)[C@H]3C12.
What is the InChIKey of (2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene?
The InChIKey is YNAFEAVIUZUQMX-AWKRYSKYSA-N. The full InChI is InChI=1S/C18H19N/c1-4-14-10-5-6-11-15-17(14)16-12(2)8-7-9-13(3)19-18(15)16/h4-8,10-11,16-17H,2,9H2,1,3H3/b8-7-,14-4-,19-13-/t16?,17-/m1/s1.
What are the key properties of (2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene?
(2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene has a molecular weight of 249.36 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3Z,13Z)-3-ethylidene-11-methyl-15-methylidene-10-azatricyclo[7.6.0.02,8]pentadeca-4,6,8,10,13-pentaene is sourced from PubChem (CID 126630598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).