11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile

C14H16N2 — CID 70374095

IUPAC11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile
SMILESN#CC1CC2=C3C(=CC=NC2)CCCC3C1
InChIInChI=1S/C14H16N2/c15-8-10-6-12-3-1-2-11-4-5-16-9-13(7-10)14(11)12/h4-5,10,12H,1-3,6-7,9H2
InChIKeyWIMRWNKDKYORNZ-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.03
Rot. Bonds

About 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile

11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile (PubChem CID 70374095) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile.

Molecular Properties

Compound Name11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile
PubChem CID70374095
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile
SMILESN#CC1CC2=C3C(=CC=NC2)CCCC3C1
InChIInChI=1S/C14H16N2/c15-8-10-6-12-3-1-2-11-4-5-16-9-13(7-10)14(11)12/h4-5,10,12H,1-3,6-7,9H2
InChIKeyWIMRWNKDKYORNZ-UHFFFAOYSA-N
XLogP3.03
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile?
The IUPAC name of 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile (CID 70374095) is 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile.
What is the SMILES notation for 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile?
The canonical SMILES for 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile is N#CC1CC2=C3C(=CC=NC2)CCCC3C1.
What is the InChIKey of 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile?
The InChIKey is WIMRWNKDKYORNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-8-10-6-12-3-1-2-11-4-5-16-9-13(7-10)14(11)12/h4-5,10,12H,1-3,6-7,9H2.
What are the key properties of 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile?
11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene-7-carbonitrile is sourced from PubChem (CID 70374095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).