2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile

C8H14N2O — CID 62372259

IUPAC2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
SMILESCC(C#N)N1CCC(CO)C1
InChIInChI=1S/C8H14N2O/c1-7(4-9)10-3-2-8(5-10)6-11/h7-8,11H,2-3,5-6H2,1H3
InChIKeyPWCOSPHTQRLDGU-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.21
Rot. Bonds2

About 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile

2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile (PubChem CID 62372259) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
PubChem CID62372259
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
SMILESCC(C#N)N1CCC(CO)C1
InChIInChI=1S/C8H14N2O/c1-7(4-9)10-3-2-8(5-10)6-11/h7-8,11H,2-3,5-6H2,1H3
InChIKeyPWCOSPHTQRLDGU-UHFFFAOYSA-N
XLogP0.21
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile (CID 62372259) is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile is CC(C#N)N1CCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile?
The InChIKey is PWCOSPHTQRLDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(4-9)10-3-2-8(5-10)6-11/h7-8,11H,2-3,5-6H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile?
2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 62372259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).