4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one

C11H16N2O2 — CID 117022057

IUPAC4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
SMILESCC1C(CN)CC(=O)N1Cc1ccco1
InChIInChI=1S/C11H16N2O2/c1-8-9(6-12)5-11(14)13(8)7-10-3-2-4-15-10/h2-4,8-9H,5-7,12H2,1H3
InChIKeyYJYRGIXBMXGBFR-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.98
Rot. Bonds3

About 4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one

4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one (PubChem CID 117022057) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
PubChem CID117022057
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
SMILESCC1C(CN)CC(=O)N1Cc1ccco1
InChIInChI=1S/C11H16N2O2/c1-8-9(6-12)5-11(14)13(8)7-10-3-2-4-15-10/h2-4,8-9H,5-7,12H2,1H3
InChIKeyYJYRGIXBMXGBFR-UHFFFAOYSA-N
XLogP0.98
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one
CID 6482984
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one
CID 117022081
2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
CID 59093591
[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
CID 103440378
(3aR,5S,7aS)-2-(furan-2-ylmethyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2179104
(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
CID 795693
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
(5R)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 124853639
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one (CID 117022057) is 4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one is CC1C(CN)CC(=O)N1Cc1ccco1.
What is the InChIKey of 4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one?
The InChIKey is YJYRGIXBMXGBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-9(6-12)5-11(14)13(8)7-10-3-2-4-15-10/h2-4,8-9H,5-7,12H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one?
4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 117022057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).