[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide

C8H12N2 — CID 55287804

IUPAC[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide
SMILESN#CN[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H12N2/c9-5-10-8-4-6-1-2-7(8)3-6/h6-8,10H,1-4H2/t6-,7+,8+/m0/s1
InChIKeyKPCHMDQRQSMTEU-XLPZGREQSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds1

About [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide

[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide (PubChem CID 55287804) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide.

Molecular Properties

Compound Name[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide
PubChem CID55287804
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide
SMILESN#CN[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H12N2/c9-5-10-8-4-6-1-2-7(8)3-6/h6-8,10H,1-4H2/t6-,7+,8+/m0/s1
InChIKeyKPCHMDQRQSMTEU-XLPZGREQSA-N
XLogP1.25
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide?
The IUPAC name of [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide (CID 55287804) is [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide.
What is the SMILES notation for [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide?
The canonical SMILES for [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide is N#CN[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide?
The InChIKey is KPCHMDQRQSMTEU-XLPZGREQSA-N. The full InChI is InChI=1S/C8H12N2/c9-5-10-8-4-6-1-2-7(8)3-6/h6-8,10H,1-4H2/t6-,7+,8+/m0/s1.
What are the key properties of [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide?
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide has a molecular weight of 136.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide is sourced from PubChem (CID 55287804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).