(1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene

C12H14N2 — CID 139250118

IUPAC(1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene
SMILESC1=C2/CNC/C2=C/C=C2/CNC/C2=C/1
InChIInChI=1S/C12H14N2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h1-4,13-14H,5-8H2/b2-1-,4-3-,9-1-,10-2-,11-3-,12-4-
InChIKeyIZPFYRHJZPJERS-TVIUXHAYSA-N
MW186.26 g/mol
LogP0.91
Rot. Bonds

About (1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene

(1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene (PubChem CID 139250118) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene.

Molecular Properties

Compound Name(1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene
PubChem CID139250118
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene
SMILESC1=C2/CNC/C2=C/C=C2/CNC/C2=C/1
InChIInChI=1S/C12H14N2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h1-4,13-14H,5-8H2/b2-1-,4-3-,9-1-,10-2-,11-3-,12-4-
InChIKeyIZPFYRHJZPJERS-TVIUXHAYSA-N
XLogP0.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,4E)-3-ethylidene-4-propylidenepyrrolidine
CID 121388602
(3E)-3-(3-methylbut-2-enylidene)-4-methylidenepyrrolidine
CID 121388643
2,3-dihydro-1H-cyclohepta[c]pyrrole
CID 123143801
3,4-Di(ethylidene)pyrrolidine
CID 123470742
3-Ethylidene-4-methylidenepyrrolidine
CID 123626310
3-Methylidene-4-propan-2-ylidenepyrrolidine
CID 126626439
(3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine
CID 138645597
methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine
CID 142442055
(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine
CID 142442056
(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidine
CID 142896103
(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine
CID 143039515
(3Z)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine
CID 143170985

Frequently Asked Questions

What is the IUPAC name of (1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene?
The IUPAC name of (1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene (CID 139250118) is (1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene.
What is the SMILES notation for (1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene?
The canonical SMILES for (1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene is C1=C2/CNC/C2=C/C=C2/CNC/C2=C/1.
What is the InChIKey of (1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene?
The InChIKey is IZPFYRHJZPJERS-TVIUXHAYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h1-4,13-14H,5-8H2/b2-1-,4-3-,9-1-,10-2-,11-3-,12-4-.
What are the key properties of (1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene?
(1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene has a molecular weight of 186.26 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,8E,10E)-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene is sourced from PubChem (CID 139250118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).