(1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene

C18H23NO — CID 163678637

IUPAC(1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene
SMILESC/C=C1\C2C=C(C)C[C@@]1(CC)c1ccc(OC)nc1C2
InChIInChI=1S/C18H23NO/c1-5-14-13-9-12(3)11-18(14,6-2)15-7-8-17(20-4)19-16(15)10-13/h5,7-9,13H,6,10-11H2,1-4H3/b14-5+/t13?,18-/m1/s1
InChIKeyJIXRZESJPQPYTH-CQVFGXCCSA-N
MW269.39 g/mol
LogP4.21
Rot. Bonds2

About (1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene

(1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene (PubChem CID 163678637) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene.

Molecular Properties

Compound Name(1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene
PubChem CID163678637
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene
SMILESC/C=C1\C2C=C(C)C[C@@]1(CC)c1ccc(OC)nc1C2
InChIInChI=1S/C18H23NO/c1-5-14-13-9-12(3)11-18(14,6-2)15-7-8-17(20-4)19-16(15)10-13/h5,7-9,13H,6,10-11H2,1-4H3/b14-5+/t13?,18-/m1/s1
InChIKeyJIXRZESJPQPYTH-CQVFGXCCSA-N
XLogP4.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene?
The IUPAC name of (1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene (CID 163678637) is (1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene.
What is the SMILES notation for (1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene?
The canonical SMILES for (1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene is C/C=C1\C2C=C(C)C[C@@]1(CC)c1ccc(OC)nc1C2.
What is the InChIKey of (1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene?
The InChIKey is JIXRZESJPQPYTH-CQVFGXCCSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-14-13-9-12(3)11-18(14,6-2)15-7-8-17(20-4)19-16(15)10-13/h5,7-9,13H,6,10-11H2,1-4H3/b14-5+/t13?,18-/m1/s1.
What are the key properties of (1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene?
(1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene has a molecular weight of 269.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13E)-1-ethyl-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene is sourced from PubChem (CID 163678637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).