4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one

C11H19NO — CID 116560952

IUPAC4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one
SMILESO=C(CCC1CC1)CC1CCCN1
InChIInChI=1S/C11H19NO/c13-11(6-5-9-3-4-9)8-10-2-1-7-12-10/h9-10,12H,1-8H2
InChIKeyNGMGFGROVKGCQF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds5

About 4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one

4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one (PubChem CID 116560952) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one.

Molecular Properties

Compound Name4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one
PubChem CID116560952
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one
SMILESO=C(CCC1CC1)CC1CCCN1
InChIInChI=1S/C11H19NO/c13-11(6-5-9-3-4-9)8-10-2-1-7-12-10/h9-10,12H,1-8H2
InChIKeyNGMGFGROVKGCQF-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one?
The IUPAC name of 4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one (CID 116560952) is 4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one.
What is the SMILES notation for 4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one?
The canonical SMILES for 4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one is O=C(CCC1CC1)CC1CCCN1.
What is the InChIKey of 4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one?
The InChIKey is NGMGFGROVKGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11(6-5-9-3-4-9)8-10-2-1-7-12-10/h9-10,12H,1-8H2.
What are the key properties of 4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one?
4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one has a molecular weight of 181.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one is sourced from PubChem (CID 116560952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).