1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone

C11H16N2O2 — CID 97165678

IUPAC1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone
SMILESO=C(CNC[C@H]1CCCN1)c1ccco1
InChIInChI=1S/C11H16N2O2/c14-10(11-4-2-6-15-11)8-12-7-9-3-1-5-13-9/h2,4,6,9,12-13H,1,3,5,7-8H2/t9-/m1/s1
InChIKeyOQWRUTHHBFJTNG-SECBINFHSA-N
MW208.26 g/mol
LogP0.80
Rot. Bonds5

About 1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone

1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone (PubChem CID 97165678) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone
PubChem CID97165678
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone
SMILESO=C(CNC[C@H]1CCCN1)c1ccco1
InChIInChI=1S/C11H16N2O2/c14-10(11-4-2-6-15-11)8-12-7-9-3-1-5-13-9/h2,4,6,9,12-13H,1,3,5,7-8H2/t9-/m1/s1
InChIKeyOQWRUTHHBFJTNG-SECBINFHSA-N
XLogP0.80
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165702
1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235911
2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone
CID 71645064
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586671
[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
CID 107229692
N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 81400921
1-(furan-2-yl)-2-(propylamino)ethanone
CID 14188381
(1R)-1-(furan-2-yl)-2-[(2S)-pyrrolidin-2-yl]ethanol
CID 95975648
1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone
CID 97165683
N-[4-methyl-5-(pyrrolidin-2-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119511877
N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 119511764
(5S)-5-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-2-one
CID 11608079

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone (CID 97165678) is 1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone is O=C(CNC[C@H]1CCCN1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone?
The InChIKey is OQWRUTHHBFJTNG-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10(11-4-2-6-15-11)8-12-7-9-3-1-5-13-9/h2,4,6,9,12-13H,1,3,5,7-8H2/t9-/m1/s1.
What are the key properties of 1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone?
1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone is sourced from PubChem (CID 97165678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).