1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone

C14H22N2O2 — CID 104651800

IUPAC1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone
SMILESCCN1CCCC1CN(C)c1ccc(C(C)=O)o1
InChIInChI=1S/C14H22N2O2/c1-4-16-9-5-6-12(16)10-15(3)14-8-7-13(18-14)11(2)17/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyGEMCUXGJUNLLQT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.40
Rot. Bonds5

About 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone

1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone (PubChem CID 104651800) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone
PubChem CID104651800
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone
SMILESCCN1CCCC1CN(C)c1ccc(C(C)=O)o1
InChIInChI=1S/C14H22N2O2/c1-4-16-9-5-6-12(16)10-15(3)14-8-7-13(18-14)11(2)17/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyGEMCUXGJUNLLQT-UHFFFAOYSA-N
XLogP2.40
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-bromo-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanone
CID 82966904
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 113377335
1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 115994648
(1S)-1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319186
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline
CID 79319977
2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzoic acid
CID 104500754
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 79312721
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
CID 55050376
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 79309506
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 79319599

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone (CID 104651800) is 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone is CCN1CCCC1CN(C)c1ccc(C(C)=O)o1.
What is the InChIKey of 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone?
The InChIKey is GEMCUXGJUNLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16-9-5-6-12(16)10-15(3)14-8-7-13(18-14)11(2)17/h7-8,12H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone?
1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone has a molecular weight of 250.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone is sourced from PubChem (CID 104651800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).