1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone

C10H15NO2 — CID 102652439

IUPAC1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)C1=CCCO1
InChIInChI=1S/C10H15NO2/c12-9(10-4-2-6-13-10)7-8-3-1-5-11-8/h4,8,11H,1-3,5-7H2
InChIKeyZELMUGMKESGUMY-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.00
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone

1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 102652439) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone
PubChem CID102652439
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)C1=CCCO1
InChIInChI=1S/C10H15NO2/c12-9(10-4-2-6-13-10)7-8-3-1-5-11-8/h4,8,11H,1-3,5-7H2
InChIKeyZELMUGMKESGUMY-UHFFFAOYSA-N
XLogP1.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone (CID 102652439) is 1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is ZELMUGMKESGUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9(10-4-2-6-13-10)7-8-3-1-5-11-8/h4,8,11H,1-3,5-7H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone?
1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 181.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 102652439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).