1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone

C11H16N2O2 — CID 97165702

IUPAC1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone
SMILESO=C(CNC[C@H]1CCNC1)c1ccco1
InChIInChI=1S/C11H16N2O2/c14-10(11-2-1-5-15-11)8-13-7-9-3-4-12-6-9/h1-2,5,9,12-13H,3-4,6-8H2/t9-/m0/s1
InChIKeyBNFFGNAARZGKOZ-VIFPVBQESA-N
MW208.26 g/mol
LogP0.66
Rot. Bonds5

About 1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone

1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone (PubChem CID 97165702) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone
PubChem CID97165702
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone
SMILESO=C(CNC[C@H]1CCNC1)c1ccco1
InChIInChI=1S/C11H16N2O2/c14-10(11-2-1-5-15-11)8-13-7-9-3-4-12-6-9/h1-2,5,9,12-13H,3-4,6-8H2/t9-/m0/s1
InChIKeyBNFFGNAARZGKOZ-VIFPVBQESA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone
CID 97165678
1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235917
1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165705
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
1-(furan-2-yl)-2-pyrrolidin-3-yloxyethanone;hydrochloride
CID 71645185
piperidin-4-ylmethyl furan-2-carboxylate
CID 53410145
2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone
CID 71643902
1-(furan-2-yl)-2-(propylamino)ethanone
CID 14188381
1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
CID 116589590
tert-butyl (3R)-3-[[[2-(furan-2-yl)-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97171234
2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride
CID 71643901
(1R)-1-(furan-2-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162320

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone (CID 97165702) is 1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone is O=C(CNC[C@H]1CCNC1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone?
The InChIKey is BNFFGNAARZGKOZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10(11-2-1-5-15-11)8-13-7-9-3-4-12-6-9/h1-2,5,9,12-13H,3-4,6-8H2/t9-/m0/s1.
What are the key properties of 1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone?
1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.66, 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-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone is sourced from PubChem (CID 97165702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).