2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile

C7H10N2 — CID 167481569

IUPAC2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile
SMILESN#CC(N)C12CC(C1)C2
InChIInChI=1S/C7H10N2/c8-4-6(9)7-1-5(2-7)3-7/h5-6H,1-3,9H2
InChIKeyKEACTUAHIWQFST-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.64
Rot. Bonds1

About 2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile

2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile (PubChem CID 167481569) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile
PubChem CID167481569
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile
SMILESN#CC(N)C12CC(C1)C2
InChIInChI=1S/C7H10N2/c8-4-6(9)7-1-5(2-7)3-7/h5-6H,1-3,9H2
InChIKeyKEACTUAHIWQFST-UHFFFAOYSA-N
XLogP0.64
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile?
The IUPAC name of 2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile (CID 167481569) is 2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile?
The canonical SMILES for 2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile is N#CC(N)C12CC(C1)C2.
What is the InChIKey of 2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile?
The InChIKey is KEACTUAHIWQFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-4-6(9)7-1-5(2-7)3-7/h5-6H,1-3,9H2.
What are the key properties of 2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile?
2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile has a molecular weight of 122.17 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetonitrile is sourced from PubChem (CID 167481569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).