(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone

C11H16N2O2 — CID 79094746

IUPAC(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC(N)C2)o1
InChIInChI=1S/C11H16N2O2/c1-2-9-3-4-10(15-9)11(14)13-6-5-8(12)7-13/h3-4,8H,2,5-7,12H2,1H3
InChIKeyMYKQIBMUZLKIPP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.02
Rot. Bonds2

About (3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone

(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone (PubChem CID 79094746) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
PubChem CID79094746
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC(N)C2)o1
InChIInChI=1S/C11H16N2O2/c1-2-9-3-4-10(15-9)11(14)13-6-5-8(12)7-13/h3-4,8H,2,5-7,12H2,1H3
InChIKeyMYKQIBMUZLKIPP-UHFFFAOYSA-N
XLogP1.02
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
[3-(bromomethyl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 80667487
(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 79095324
[(3R)-3-aminopyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119411658
[(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone
CID 125441733
[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride
CID 119410829
1-(5-ethylfuran-2-carbonyl)piperidin-4-one
CID 79095458
(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38482077
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 47796215
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672
(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427788

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone (CID 79094746) is (3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)N2CCC(N)C2)o1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is MYKQIBMUZLKIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-9-3-4-10(15-9)11(14)13-6-5-8(12)7-13/h3-4,8H,2,5-7,12H2,1H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone?
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 79094746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).