1-hydroxypyrrolidine-3-carbonitrile

C5H8N2O — CID 123329469

IUPAC1-hydroxypyrrolidine-3-carbonitrile
SMILESN#CC1CCN(O)C1
InChIInChI=1S/C5H8N2O/c6-3-5-1-2-7(8)4-5/h5,8H,1-2,4H2
InChIKeyYCIXLRAJXAQLTJ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.22
Rot. Bonds

About 1-hydroxypyrrolidine-3-carbonitrile

1-hydroxypyrrolidine-3-carbonitrile (PubChem CID 123329469) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-hydroxypyrrolidine-3-carbonitrile
PubChem CID123329469
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-hydroxypyrrolidine-3-carbonitrile
SMILESN#CC1CCN(O)C1
InChIInChI=1S/C5H8N2O/c6-3-5-1-2-7(8)4-5/h5,8H,1-2,4H2
InChIKeyYCIXLRAJXAQLTJ-UHFFFAOYSA-N
XLogP0.22
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-3-carbonitrile?
The IUPAC name of 1-hydroxypyrrolidine-3-carbonitrile (CID 123329469) is 1-hydroxypyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-hydroxypyrrolidine-3-carbonitrile?
The canonical SMILES for 1-hydroxypyrrolidine-3-carbonitrile is N#CC1CCN(O)C1.
What is the InChIKey of 1-hydroxypyrrolidine-3-carbonitrile?
The InChIKey is YCIXLRAJXAQLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-3-5-1-2-7(8)4-5/h5,8H,1-2,4H2.
What are the key properties of 1-hydroxypyrrolidine-3-carbonitrile?
1-hydroxypyrrolidine-3-carbonitrile has a molecular weight of 112.13 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-3-carbonitrile is sourced from PubChem (CID 123329469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).