4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile

C7H10N2O2 — CID 175594848

IUPAC4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile
SMILESCOC1C(C)NC(=O)C1C#N
InChIInChI=1S/C7H10N2O2/c1-4-6(11-2)5(3-8)7(10)9-4/h4-6H,1-2H3,(H,9,10)
InChIKeyOGFOPEGUPXPLHN-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.34
Rot. Bonds1

About 4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile

4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile (PubChem CID 175594848) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile
PubChem CID175594848
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile
SMILESCOC1C(C)NC(=O)C1C#N
InChIInChI=1S/C7H10N2O2/c1-4-6(11-2)5(3-8)7(10)9-4/h4-6H,1-2H3,(H,9,10)
InChIKeyOGFOPEGUPXPLHN-UHFFFAOYSA-N
XLogP-0.34
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile (CID 175594848) is 4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile is COC1C(C)NC(=O)C1C#N.
What is the InChIKey of 4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile?
The InChIKey is OGFOPEGUPXPLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-6(11-2)5(3-8)7(10)9-4/h4-6H,1-2H3,(H,9,10).
What are the key properties of 4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile?
4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile has a molecular weight of 154.17 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 175594848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).