5-propan-2-ylpyrrolidine-2-carbonitrile

C8H14N2 — CID 84762546

IUPAC5-propan-2-ylpyrrolidine-2-carbonitrile
SMILESCC(C)C1CCC(C#N)N1
InChIInChI=1S/C8H14N2/c1-6(2)8-4-3-7(5-9)10-8/h6-8,10H,3-4H2,1-2H3
InChIKeyBOSIXDYNLWQELX-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds1

About 5-propan-2-ylpyrrolidine-2-carbonitrile

5-propan-2-ylpyrrolidine-2-carbonitrile (PubChem CID 84762546) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-propan-2-ylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name5-propan-2-ylpyrrolidine-2-carbonitrile
PubChem CID84762546
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-propan-2-ylpyrrolidine-2-carbonitrile
SMILESCC(C)C1CCC(C#N)N1
InChIInChI=1S/C8H14N2/c1-6(2)8-4-3-7(5-9)10-8/h6-8,10H,3-4H2,1-2H3
InChIKeyBOSIXDYNLWQELX-UHFFFAOYSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylpyrrolidine-2-carbonitrile?
The IUPAC name of 5-propan-2-ylpyrrolidine-2-carbonitrile (CID 84762546) is 5-propan-2-ylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 5-propan-2-ylpyrrolidine-2-carbonitrile?
The canonical SMILES for 5-propan-2-ylpyrrolidine-2-carbonitrile is CC(C)C1CCC(C#N)N1.
What is the InChIKey of 5-propan-2-ylpyrrolidine-2-carbonitrile?
The InChIKey is BOSIXDYNLWQELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)8-4-3-7(5-9)10-8/h6-8,10H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-ylpyrrolidine-2-carbonitrile?
5-propan-2-ylpyrrolidine-2-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 84762546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).