(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile

C8H11N — CID 6994024

IUPAC(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile
SMILESN#C[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2/t6-,7-,8+/m1/s1
InChIKeyGAHKEUUHTHVKEA-PRJMDXOYSA-N
MW121.18 g/mol
LogP1.95
Rot. Bonds

About (1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile

(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 6994024) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID6994024
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile
SMILESN#C[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2/t6-,7-,8+/m1/s1
InChIKeyGAHKEUUHTHVKEA-PRJMDXOYSA-N
XLogP1.95
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[2.2.1]heptane-2-carbonitrile;tetramethylsilane
CID 90949239
(1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile
CID 11859739
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide
CID 55287804
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]propanedinitrile
CID 11252164
(1R,4S,5S,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
CID 125455078
(1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
CID 125455079
tricyclo[5.3.2.04,9]dodecane
CID 54490019
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
bicyclo[2.2.1]heptan-2-ol;ethane
CID 143739215
2-bromobicyclo[2.2.1]heptane;methanamine
CID 174462480
(E)-3-(2-bicyclo[2.2.1]heptanyl)but-2-enenitrile
CID 53471238
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of (1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile (CID 6994024) is (1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for (1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for (1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile is N#C[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is GAHKEUUHTHVKEA-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2/t6-,7-,8+/m1/s1.
What are the key properties of (1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile?
(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 121.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 6994024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).