tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile

C14H16N2 — CID 139970843

IUPACtetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile
SMILESN#CC12C3CCC(C3)C1(C#N)C1CCC2C1
InChIInChI=1S/C14H16N2/c15-7-13-9-1-2-10(5-9)14(13,8-16)12-4-3-11(13)6-12/h9-12H,1-6H2
InChIKeyMEIDYXCJCFMLAQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.87
Rot. Bonds

About tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile

tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile (PubChem CID 139970843) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile.

Molecular Properties

Compound Nametetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile
PubChem CID139970843
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Nametetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile
SMILESN#CC12C3CCC(C3)C1(C#N)C1CCC2C1
InChIInChI=1S/C14H16N2/c15-7-13-9-1-2-10(5-9)14(13,8-16)12-4-3-11(13)6-12/h9-12H,1-6H2
InChIKeyMEIDYXCJCFMLAQ-UHFFFAOYSA-N
XLogP2.87
TPSA47.58 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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,4S)-3,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
CID 166525664
2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane
CID 12649566
2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile
CID 54497637
(4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile
CID 910645
1-(4-ethylcyclohexyl)cyclobutane-1-carbonitrile
CID 130513676
1-cyclopropyl-3-ethylcyclopentane-1-carbonitrile
CID 130514258
CID 135082465
CID 135082465
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
(2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile
CID 55285576
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268
2-cyclopropylpyrrolidine-2-carbonitrile
CID 90115241
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597

Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile?
The IUPAC name of tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile (CID 139970843) is tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile.
What is the SMILES notation for tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile?
The canonical SMILES for tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile is N#CC12C3CCC(C3)C1(C#N)C1CCC2C1.
What is the InChIKey of tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile?
The InChIKey is MEIDYXCJCFMLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-7-13-9-1-2-10(5-9)14(13,8-16)12-4-3-11(13)6-12/h9-12H,1-6H2.
What are the key properties of tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile?
tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile has a molecular weight of 212.30 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile is sourced from PubChem (CID 139970843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).