2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone

C11H15NO2 — CID 116580591

IUPAC2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCC1(C(=O)Cc2ccoc2)CCCN1
InChIInChI=1S/C11H15NO2/c1-11(4-2-5-12-11)10(13)7-9-3-6-14-8-9/h3,6,8,12H,2,4-5,7H2,1H3
InChIKeyVJQYIQBBVCIEED-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.53
Rot. Bonds3

About 2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone

2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone (PubChem CID 116580591) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
PubChem CID116580591
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCC1(C(=O)Cc2ccoc2)CCCN1
InChIInChI=1S/C11H15NO2/c1-11(4-2-5-12-11)10(13)7-9-3-6-14-8-9/h3,6,8,12H,2,4-5,7H2,1H3
InChIKeyVJQYIQBBVCIEED-UHFFFAOYSA-N
XLogP1.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116614195
2-(furan-3-ylmethyl)-2-methylazepane
CID 83182751
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116580409
2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171826
2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580567
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 102622142
2-(furan-3-ylmethyl)-2-propan-2-ylazepane
CID 83183149
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580542
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580505
N-[(2-methylpyrrolidin-2-yl)methyl]furan-3-carboxamide
CID 114761851
1-(3-aminooxolan-3-yl)-2-(furan-3-yl)ethanone
CID 116579682

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone (CID 116580591) is 2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone is CC1(C(=O)Cc2ccoc2)CCCN1.
What is the InChIKey of 2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The InChIKey is VJQYIQBBVCIEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(4-2-5-12-11)10(13)7-9-3-6-14-8-9/h3,6,8,12H,2,4-5,7H2,1H3.
What are the key properties of 2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116580591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).