2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile

C8H14N2O — CID 79130079

IUPAC2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)C1(O)CCNC1
InChIInChI=1S/C8H14N2O/c1-7(2,5-9)8(11)3-4-10-6-8/h10-11H,3-4,6H2,1-2H3
InChIKeyNGRLSJSAXPDHHS-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.26
Rot. Bonds1

About 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile

2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile (PubChem CID 79130079) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile
PubChem CID79130079
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)C1(O)CCNC1
InChIInChI=1S/C8H14N2O/c1-7(2,5-9)8(11)3-4-10-6-8/h10-11H,3-4,6H2,1-2H3
InChIKeyNGRLSJSAXPDHHS-UHFFFAOYSA-N
XLogP0.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile (CID 79130079) is 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile is CC(C)(C#N)C1(O)CCNC1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile?
The InChIKey is NGRLSJSAXPDHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2,5-9)8(11)3-4-10-6-8/h10-11H,3-4,6H2,1-2H3.
What are the key properties of 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile?
2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile is sourced from PubChem (CID 79130079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).