5-(2-methylpropanoyl)pyrrolidin-2-one

C8H13NO2 — CID 20577844

IUPAC5-(2-methylpropanoyl)pyrrolidin-2-one
SMILESCC(C)C(=O)C1CCC(=O)N1
InChIInChI=1S/C8H13NO2/c1-5(2)8(11)6-3-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyRFVFIDVLYBMKMD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.49
Rot. Bonds2

About 5-(2-methylpropanoyl)pyrrolidin-2-one

5-(2-methylpropanoyl)pyrrolidin-2-one (PubChem CID 20577844) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(2-methylpropanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-methylpropanoyl)pyrrolidin-2-one
PubChem CID20577844
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-(2-methylpropanoyl)pyrrolidin-2-one
SMILESCC(C)C(=O)C1CCC(=O)N1
InChIInChI=1S/C8H13NO2/c1-5(2)8(11)6-3-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyRFVFIDVLYBMKMD-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropanoyl)pyrrolidin-2-one?
The IUPAC name of 5-(2-methylpropanoyl)pyrrolidin-2-one (CID 20577844) is 5-(2-methylpropanoyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2-methylpropanoyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2-methylpropanoyl)pyrrolidin-2-one is CC(C)C(=O)C1CCC(=O)N1.
What is the InChIKey of 5-(2-methylpropanoyl)pyrrolidin-2-one?
The InChIKey is RFVFIDVLYBMKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)8(11)6-3-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 5-(2-methylpropanoyl)pyrrolidin-2-one?
5-(2-methylpropanoyl)pyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropanoyl)pyrrolidin-2-one is sourced from PubChem (CID 20577844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).