1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile

C10H16N4O — CID 79086104

IUPAC1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile
SMILESCN1CCC(N2CCNCC2C#N)C1=O
InChIInChI=1S/C10H16N4O/c1-13-4-2-9(10(13)15)14-5-3-12-7-8(14)6-11/h8-9,12H,2-5,7H2,1H3
InChIKeySKLHTQQBVHXYHC-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.99
Rot. Bonds1

About 1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile

1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile (PubChem CID 79086104) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile
PubChem CID79086104
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile
SMILESCN1CCC(N2CCNCC2C#N)C1=O
InChIInChI=1S/C10H16N4O/c1-13-4-2-9(10(13)15)14-5-3-12-7-8(14)6-11/h8-9,12H,2-5,7H2,1H3
InChIKeySKLHTQQBVHXYHC-UHFFFAOYSA-N
XLogP-0.99
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile?
The IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile (CID 79086104) is 1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile is CN1CCC(N2CCNCC2C#N)C1=O.
What is the InChIKey of 1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile?
The InChIKey is SKLHTQQBVHXYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-4-2-9(10(13)15)14-5-3-12-7-8(14)6-11/h8-9,12H,2-5,7H2,1H3.
What are the key properties of 1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile?
1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile is sourced from PubChem (CID 79086104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).