3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one

C13H17NO2 — CID 104788432

IUPAC3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one
SMILESCc1cc(C(C)NC2=CC(=O)CC2)c(C)o1
InChIInChI=1S/C13H17NO2/c1-8-6-13(10(3)16-8)9(2)14-11-4-5-12(15)7-11/h6-7,9,14H,4-5H2,1-3H3
InChIKeyZKXAKUXQOQLWHX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.79
Rot. Bonds3

About 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one

3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one (PubChem CID 104788432) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one
PubChem CID104788432
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one
SMILESCc1cc(C(C)NC2=CC(=O)CC2)c(C)o1
InChIInChI=1S/C13H17NO2/c1-8-6-13(10(3)16-8)9(2)14-11-4-5-12(15)7-11/h6-7,9,14H,4-5H2,1-3H3
InChIKeyZKXAKUXQOQLWHX-UHFFFAOYSA-N
XLogP2.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one
CID 104788332
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine
CID 43121192
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136975120
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035
N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788692
methyl 5-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-fluorobenzoate
CID 43715486
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
CID 43121263
5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 63478098
methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
CID 43726174

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one (CID 104788432) is 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one is Cc1cc(C(C)NC2=CC(=O)CC2)c(C)o1.
What is the InChIKey of 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one?
The InChIKey is ZKXAKUXQOQLWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-6-13(10(3)16-8)9(2)14-11-4-5-12(15)7-11/h6-7,9,14H,4-5H2,1-3H3.
What are the key properties of 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one?
3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).