2-pyrrolidin-1-ylhexanenitrile

C10H18N2 — CID 25156082

IUPAC2-pyrrolidin-1-ylhexanenitrile
SMILESCCCCC(C#N)N1CCCC1
InChIInChI=1S/C10H18N2/c1-2-3-6-10(9-11)12-7-4-5-8-12/h10H,2-8H2,1H3
InChIKeyFXNBPILYOURPTI-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.16
Rot. Bonds4

About 2-pyrrolidin-1-ylhexanenitrile

2-pyrrolidin-1-ylhexanenitrile (PubChem CID 25156082) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylhexanenitrile.

Molecular Properties

Compound Name2-pyrrolidin-1-ylhexanenitrile
PubChem CID25156082
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-pyrrolidin-1-ylhexanenitrile
SMILESCCCCC(C#N)N1CCCC1
InChIInChI=1S/C10H18N2/c1-2-3-6-10(9-11)12-7-4-5-8-12/h10H,2-8H2,1H3
InChIKeyFXNBPILYOURPTI-UHFFFAOYSA-N
XLogP2.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylhexanenitrile?
The IUPAC name of 2-pyrrolidin-1-ylhexanenitrile (CID 25156082) is 2-pyrrolidin-1-ylhexanenitrile.
What is the SMILES notation for 2-pyrrolidin-1-ylhexanenitrile?
The canonical SMILES for 2-pyrrolidin-1-ylhexanenitrile is CCCCC(C#N)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylhexanenitrile?
The InChIKey is FXNBPILYOURPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-3-6-10(9-11)12-7-4-5-8-12/h10H,2-8H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylhexanenitrile?
2-pyrrolidin-1-ylhexanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylhexanenitrile is sourced from PubChem (CID 25156082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).