3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one

C11H17NO — CID 86131843

IUPAC3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCCC1=C(N2CCCC2)C(=O)CC1
InChIInChI=1S/C11H17NO/c1-2-9-5-6-10(13)11(9)12-7-3-4-8-12/h2-8H2,1H3
InChIKeyXYFITVFPQSIWES-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds2

About 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one

3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one (PubChem CID 86131843) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
PubChem CID86131843
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCCC1=C(N2CCCC2)C(=O)CC1
InChIInChI=1S/C11H17NO/c1-2-9-5-6-10(13)11(9)12-7-3-4-8-12/h2-8H2,1H3
InChIKeyXYFITVFPQSIWES-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one (CID 86131843) is 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one is CCC1=C(N2CCCC2)C(=O)CC1.
What is the InChIKey of 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The InChIKey is XYFITVFPQSIWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-9-5-6-10(13)11(9)12-7-3-4-8-12/h2-8H2,1H3.
What are the key properties of 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 86131843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).