(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene

C21H19N — CID 145387131

IUPAC(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
SMILESC=C1C(=C)c2ccccc2/C=C\N(C)/C=C\c2ccccc21
InChIInChI=1S/C21H19N/c1-16-17(2)21-11-7-5-9-19(21)13-15-22(3)14-12-18-8-4-6-10-20(16)18/h4-15H,1-2H2,3H3/b14-12-,15-13-
InChIKeyNREOWZBPBMHMSF-DZDAAMPGSA-N
MW285.39 g/mol
LogP5.30
Rot. Bonds

About (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene

(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene (PubChem CID 145387131) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene.

Molecular Properties

Compound Name(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
PubChem CID145387131
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
SMILESC=C1C(=C)c2ccccc2/C=C\N(C)/C=C\c2ccccc21
InChIInChI=1S/C21H19N/c1-16-17(2)21-11-7-5-9-19(21)13-15-22(3)14-12-18-8-4-6-10-20(16)18/h4-15H,1-2H2,3H3/b14-12-,15-13-
InChIKeyNREOWZBPBMHMSF-DZDAAMPGSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene?
The IUPAC name of (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene (CID 145387131) is (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene.
What is the SMILES notation for (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene?
The canonical SMILES for (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene is C=C1C(=C)c2ccccc2/C=C\N(C)/C=C\c2ccccc21.
What is the InChIKey of (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene?
The InChIKey is NREOWZBPBMHMSF-DZDAAMPGSA-N. The full InChI is InChI=1S/C21H19N/c1-16-17(2)21-11-7-5-9-19(21)13-15-22(3)14-12-18-8-4-6-10-20(16)18/h4-15H,1-2H2,3H3/b14-12-,15-13-.
What are the key properties of (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene?
(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene has a molecular weight of 285.39 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene is sourced from PubChem (CID 145387131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).