10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile

C12H12N2 — CID 10154344

IUPAC10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
SMILESN#Cc1ccc2c(c1)C1CNCC2C1
InChIInChI=1S/C12H12N2/c13-5-8-1-2-11-9-4-10(7-14-6-9)12(11)3-8/h1-3,9-10,14H,4,6-7H2
InChIKeyLZJKYCFNHCYHCM-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.73
Rot. Bonds

About 10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile

10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile (PubChem CID 10154344) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile.

Molecular Properties

Compound Name10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
PubChem CID10154344
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
SMILESN#Cc1ccc2c(c1)C1CNCC2C1
InChIInChI=1S/C12H12N2/c13-5-8-1-2-11-9-4-10(7-14-6-9)12(11)3-8/h1-3,9-10,14H,4,6-7H2
InChIKeyLZJKYCFNHCYHCM-UHFFFAOYSA-N
XLogP1.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
The IUPAC name of 10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile (CID 10154344) is 10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile.
What is the SMILES notation for 10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
The canonical SMILES for 10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile is N#Cc1ccc2c(c1)C1CNCC2C1.
What is the InChIKey of 10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
The InChIKey is LZJKYCFNHCYHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c13-5-8-1-2-11-9-4-10(7-14-6-9)12(11)3-8/h1-3,9-10,14H,4,6-7H2.
What are the key properties of 10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile has a molecular weight of 184.24 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile is sourced from PubChem (CID 10154344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).