(2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile

C6H8N2O — CID 166437847

IUPAC(2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile
SMILESC[C@H]1NC(=O)C[C@H]1C#N
InChIInChI=1S/C6H8N2O/c1-4-5(3-7)2-6(9)8-4/h4-5H,2H2,1H3,(H,8,9)/t4-,5+/m1/s1
InChIKeyPWYPBDOPSKFXDS-UHNVWZDZSA-N
MW124.14 g/mol
LogP0.03
Rot. Bonds

About (2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile

(2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile (PubChem CID 166437847) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile
PubChem CID166437847
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile
SMILESC[C@H]1NC(=O)C[C@H]1C#N
InChIInChI=1S/C6H8N2O/c1-4-5(3-7)2-6(9)8-4/h4-5H,2H2,1H3,(H,8,9)/t4-,5+/m1/s1
InChIKeyPWYPBDOPSKFXDS-UHNVWZDZSA-N
XLogP0.03
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of (2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile (CID 166437847) is (2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for (2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for (2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile is C[C@H]1NC(=O)C[C@H]1C#N.
What is the InChIKey of (2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is PWYPBDOPSKFXDS-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-5(3-7)2-6(9)8-4/h4-5H,2H2,1H3,(H,8,9)/t4-,5+/m1/s1.
What are the key properties of (2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile?
(2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 124.14 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 166437847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).