1-(furan-2-yl)-2-pyrrolidin-1-ylethanone

C10H13NO2 — CID 2422289

IUPAC1-(furan-2-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1ccco1
InChIInChI=1S/C10H13NO2/c12-9(10-4-3-7-13-10)8-11-5-1-2-6-11/h3-4,7H,1-2,5-6,8H2
InChIKeyGELABFQQNPGWTE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.56
Rot. Bonds3

About 1-(furan-2-yl)-2-pyrrolidin-1-ylethanone

1-(furan-2-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 2422289) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-pyrrolidin-1-ylethanone
PubChem CID2422289
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(furan-2-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1ccco1
InChIInChI=1S/C10H13NO2/c12-9(10-4-3-7-13-10)8-11-5-1-2-6-11/h3-4,7H,1-2,5-6,8H2
InChIKeyGELABFQQNPGWTE-UHFFFAOYSA-N
XLogP1.56
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(furan-2-yl)-2-pyrrolidin-1-ylethanone (CID 2422289) is 1-(furan-2-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(furan-2-yl)-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is GELABFQQNPGWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-9(10-4-3-7-13-10)8-11-5-1-2-6-11/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-(furan-2-yl)-2-pyrrolidin-1-ylethanone?
1-(furan-2-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 179.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 2422289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).