1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile

C8H14N2O — CID 130502758

IUPAC1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile
SMILESCC(CO)N1CCCC1C#N
InChIInChI=1S/C8H14N2O/c1-7(6-11)10-4-2-3-8(10)5-9/h7-8,11H,2-4,6H2,1H3
InChIKeyLXMZBUMHRFKBKL-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.36
Rot. Bonds2

About 1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile

1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile (PubChem CID 130502758) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile
PubChem CID130502758
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile
SMILESCC(CO)N1CCCC1C#N
InChIInChI=1S/C8H14N2O/c1-7(6-11)10-4-2-3-8(10)5-9/h7-8,11H,2-4,6H2,1H3
InChIKeyLXMZBUMHRFKBKL-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile?
The IUPAC name of 1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile (CID 130502758) is 1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile is CC(CO)N1CCCC1C#N.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile?
The InChIKey is LXMZBUMHRFKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(6-11)10-4-2-3-8(10)5-9/h7-8,11H,2-4,6H2,1H3.
What are the key properties of 1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile?
1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 130502758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).