4-propan-2-ylpyrrolidin-2-one

C7H13NO — CID 20976007

IUPAC4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CNC(=O)C1
InChIInChI=1S/C7H13NO/c1-5(2)6-3-7(9)8-4-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyYWJNZEJGGLBELP-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.78
Rot. Bonds1

About 4-propan-2-ylpyrrolidin-2-one

4-propan-2-ylpyrrolidin-2-one (PubChem CID 20976007) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-propan-2-ylpyrrolidin-2-one
PubChem CID20976007
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CNC(=O)C1
InChIInChI=1S/C7H13NO/c1-5(2)6-3-7(9)8-4-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyYWJNZEJGGLBELP-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-propan-2-ylpyrrolidin-2-one (CID 20976007) is 4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-propan-2-ylpyrrolidin-2-one is CC(C)C1CNC(=O)C1.
What is the InChIKey of 4-propan-2-ylpyrrolidin-2-one?
The InChIKey is YWJNZEJGGLBELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)6-3-7(9)8-4-6/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 4-propan-2-ylpyrrolidin-2-one?
4-propan-2-ylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 20976007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).