2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone

C11H15NO2 — CID 86101852

IUPAC2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1ccoc1CC(=O)N1CCCC1
InChIInChI=1S/C11H15NO2/c1-9-4-7-14-10(9)8-11(13)12-5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3
InChIKeyBAPVJINVPKNQHP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.75
Rot. Bonds2

About 2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone

2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 86101852) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone
PubChem CID86101852
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1ccoc1CC(=O)N1CCCC1
InChIInChI=1S/C11H15NO2/c1-9-4-7-14-10(9)8-11(13)12-5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3
InChIKeyBAPVJINVPKNQHP-UHFFFAOYSA-N
XLogP1.75
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone (CID 86101852) is 2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone is Cc1ccoc1CC(=O)N1CCCC1.
What is the InChIKey of 2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is BAPVJINVPKNQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9-4-7-14-10(9)8-11(13)12-5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone?
2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 193.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylfuran-2-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 86101852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).