1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one

C13H23NO — CID 79067804

IUPAC1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)C1CC1)N1CCCC1
InChIInChI=1S/C13H23NO/c1-3-13(4-2,12(15)11-7-8-11)14-9-5-6-10-14/h11H,3-10H2,1-2H3
InChIKeyLUVJTPMZNNOXLI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds5

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

1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 79067804) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
PubChem CID79067804
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)C1CC1)N1CCCC1
InChIInChI=1S/C13H23NO/c1-3-13(4-2,12(15)11-7-8-11)14-9-5-6-10-14/h11H,3-10H2,1-2H3
InChIKeyLUVJTPMZNNOXLI-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one (CID 79067804) is 1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one is CCC(CC)(C(=O)C1CC1)N1CCCC1.
What is the InChIKey of 1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is LUVJTPMZNNOXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-13(4-2,12(15)11-7-8-11)14-9-5-6-10-14/h11H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one?
1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 79067804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).