2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile

C13H22N2O — CID 137409363

IUPAC2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCC(C)C(=O)C1CC(C#N)C(C)N1C(C)C
InChIInChI=1S/C13H22N2O/c1-8(2)13(16)12-6-11(7-14)10(5)15(12)9(3)4/h8-12H,6H2,1-5H3
InChIKeyOVNHDIUTJBHJPM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.22
Rot. Bonds3

About 2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile

2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile (PubChem CID 137409363) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile
PubChem CID137409363
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCC(C)C(=O)C1CC(C#N)C(C)N1C(C)C
InChIInChI=1S/C13H22N2O/c1-8(2)13(16)12-6-11(7-14)10(5)15(12)9(3)4/h8-12H,6H2,1-5H3
InChIKeyOVNHDIUTJBHJPM-UHFFFAOYSA-N
XLogP2.22
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile?
The IUPAC name of 2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile (CID 137409363) is 2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile?
The canonical SMILES for 2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile is CC(C)C(=O)C1CC(C#N)C(C)N1C(C)C.
What is the InChIKey of 2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile?
The InChIKey is OVNHDIUTJBHJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8(2)13(16)12-6-11(7-14)10(5)15(12)9(3)4/h8-12H,6H2,1-5H3.
What are the key properties of 2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile?
2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropanoyl)-1-propan-2-ylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 137409363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).