1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one

C11H16N2O2 — CID 16788509

IUPAC1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one
SMILESCc1ccc(C(N)CN2CCCC2=O)o1
InChIInChI=1S/C11H16N2O2/c1-8-4-5-10(15-8)9(12)7-13-6-2-3-11(13)14/h4-5,9H,2-3,6-7,12H2,1H3
InChIKeyRSDCTNYWLWZHQU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.21
Rot. Bonds3

About 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one

1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 16788509) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one
PubChem CID16788509
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one
SMILESCc1ccc(C(N)CN2CCCC2=O)o1
InChIInChI=1S/C11H16N2O2/c1-8-4-5-10(15-8)9(12)7-13-6-2-3-11(13)14/h4-5,9H,2-3,6-7,12H2,1H3
InChIKeyRSDCTNYWLWZHQU-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-2-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-one
CID 16790255
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]piperidin-2-one
CID 43212281
1-[2-amino-2-(4-ethylphenyl)ethyl]piperidin-2-one
CID 43212282
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212302
1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one
CID 18070971
1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
CID 43212279
1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212285
1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one
CID 124639194
1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 94184895
1-(3-methyl-2-sulfanylbutyl)pyrrolidin-2-one
CID 141416665
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one (CID 16788509) is 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one is Cc1ccc(C(N)CN2CCCC2=O)o1.
What is the InChIKey of 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is RSDCTNYWLWZHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-4-5-10(15-8)9(12)7-13-6-2-3-11(13)14/h4-5,9H,2-3,6-7,12H2,1H3.
What are the key properties of 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one?
1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(5-methylfuran-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 16788509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).