12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile

C15H20N2 — CID 11356637

IUPAC12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile
SMILESN#Cc1cnc2cc1CCCCCCCCC2
InChIInChI=1S/C15H20N2/c16-11-14-12-17-15-9-7-5-3-1-2-4-6-8-13(14)10-15/h10,12H,1-9H2
InChIKeyRGKUJLASMBMZPL-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.78
Rot. Bonds

About 12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile

12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile (PubChem CID 11356637) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile.

Molecular Properties

Compound Name12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile
PubChem CID11356637
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile
SMILESN#Cc1cnc2cc1CCCCCCCCC2
InChIInChI=1S/C15H20N2/c16-11-14-12-17-15-9-7-5-3-1-2-4-6-8-13(14)10-15/h10,12H,1-9H2
InChIKeyRGKUJLASMBMZPL-UHFFFAOYSA-N
XLogP3.78
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide
CID 11776128
2-chloro-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
CID 63460303
4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82375874
4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile
CID 164844404
5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 71371462
2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3779818
1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile
CID 83984777
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carbonitrile
CID 140896354
1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 117277012
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile
CID 63024024
4-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carbonitrile
CID 117419069
4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carbonitrile
CID 96592343

Frequently Asked Questions

What is the IUPAC name of 12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile?
The IUPAC name of 12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile (CID 11356637) is 12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile.
What is the SMILES notation for 12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile?
The canonical SMILES for 12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile is N#Cc1cnc2cc1CCCCCCCCC2.
What is the InChIKey of 12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile?
The InChIKey is RGKUJLASMBMZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c16-11-14-12-17-15-9-7-5-3-1-2-4-6-8-13(14)10-15/h10,12H,1-9H2.
What are the key properties of 12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile?
12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile is sourced from PubChem (CID 11356637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).