2-methyl-1-pyrrolidin-2-ylpropan-1-one

C8H15NO — CID 22952727

IUPAC2-methyl-1-pyrrolidin-2-ylpropan-1-one
SMILESCC(C)C(=O)C1CCCN1
InChIInChI=1S/C8H15NO/c1-6(2)8(10)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3
InChIKeyPBQZSVNJVABPPR-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds2

About 2-methyl-1-pyrrolidin-2-ylpropan-1-one

2-methyl-1-pyrrolidin-2-ylpropan-1-one (PubChem CID 22952727) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-2-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-2-ylpropan-1-one
PubChem CID22952727
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-1-pyrrolidin-2-ylpropan-1-one
SMILESCC(C)C(=O)C1CCCN1
InChIInChI=1S/C8H15NO/c1-6(2)8(10)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3
InChIKeyPBQZSVNJVABPPR-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-2-ylpropan-1-one?
The IUPAC name of 2-methyl-1-pyrrolidin-2-ylpropan-1-one (CID 22952727) is 2-methyl-1-pyrrolidin-2-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-pyrrolidin-2-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-pyrrolidin-2-ylpropan-1-one is CC(C)C(=O)C1CCCN1.
What is the InChIKey of 2-methyl-1-pyrrolidin-2-ylpropan-1-one?
The InChIKey is PBQZSVNJVABPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8(10)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-pyrrolidin-2-ylpropan-1-one?
2-methyl-1-pyrrolidin-2-ylpropan-1-one has a molecular weight of 141.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-2-ylpropan-1-one is sourced from PubChem (CID 22952727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).