1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one

C11H19NO — CID 127001769

IUPAC1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one
SMILESCC(C(=O)C1CCC1)C1CCCN1
InChIInChI=1S/C11H19NO/c1-8(10-6-3-7-12-10)11(13)9-4-2-5-9/h8-10,12H,2-7H2,1H3
InChIKeyVJPFGPPAGAYNDI-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.74
Rot. Bonds3

About 1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one

1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one (PubChem CID 127001769) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one
PubChem CID127001769
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one
SMILESCC(C(=O)C1CCC1)C1CCCN1
InChIInChI=1S/C11H19NO/c1-8(10-6-3-7-12-10)11(13)9-4-2-5-9/h8-10,12H,2-7H2,1H3
InChIKeyVJPFGPPAGAYNDI-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one?
The IUPAC name of 1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one (CID 127001769) is 1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one.
What is the SMILES notation for 1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one?
The canonical SMILES for 1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one is CC(C(=O)C1CCC1)C1CCCN1.
What is the InChIKey of 1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one?
The InChIKey is VJPFGPPAGAYNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(10-6-3-7-12-10)11(13)9-4-2-5-9/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one?
1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one is sourced from PubChem (CID 127001769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).