5-methyl-1-propylpyrrolidin-2-one

C8H15NO — CID 11240542

IUPAC5-methyl-1-propylpyrrolidin-2-one
SMILESCCCN1C(=O)CCC1C
InChIInChI=1S/C8H15NO/c1-3-6-9-7(2)4-5-8(9)10/h7H,3-6H2,1-2H3
InChIKeyLYHJRIBBKADLEU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds2

About 5-methyl-1-propylpyrrolidin-2-one

5-methyl-1-propylpyrrolidin-2-one (PubChem CID 11240542) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-methyl-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-1-propylpyrrolidin-2-one
PubChem CID11240542
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-methyl-1-propylpyrrolidin-2-one
SMILESCCCN1C(=O)CCC1C
InChIInChI=1S/C8H15NO/c1-3-6-9-7(2)4-5-8(9)10/h7H,3-6H2,1-2H3
InChIKeyLYHJRIBBKADLEU-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propylpyrrolidin-2-one?
The IUPAC name of 5-methyl-1-propylpyrrolidin-2-one (CID 11240542) is 5-methyl-1-propylpyrrolidin-2-one.
What is the SMILES notation for 5-methyl-1-propylpyrrolidin-2-one?
The canonical SMILES for 5-methyl-1-propylpyrrolidin-2-one is CCCN1C(=O)CCC1C.
What is the InChIKey of 5-methyl-1-propylpyrrolidin-2-one?
The InChIKey is LYHJRIBBKADLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-6-9-7(2)4-5-8(9)10/h7H,3-6H2,1-2H3.
What are the key properties of 5-methyl-1-propylpyrrolidin-2-one?
5-methyl-1-propylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propylpyrrolidin-2-one is sourced from PubChem (CID 11240542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).