1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone

C12H17NO2 — CID 104651543

IUPAC1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N(C)C2CCCC2)o1
InChIInChI=1S/C12H17NO2/c1-9(14)11-7-8-12(15-11)13(2)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyOAYZIHIMRWEZSN-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.86
Rot. Bonds3

About 1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone

1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone (PubChem CID 104651543) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone
PubChem CID104651543
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N(C)C2CCCC2)o1
InChIInChI=1S/C12H17NO2/c1-9(14)11-7-8-12(15-11)13(2)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyOAYZIHIMRWEZSN-UHFFFAOYSA-N
XLogP2.86
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone
CID 113437412
1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone
CID 104651513
1-[5-[1-cyclopropylethyl(methyl)amino]furan-2-yl]ethanone
CID 104651567
1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone
CID 104651800
1-[5-(diethylamino)furan-2-yl]ethanone
CID 82375806
1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone
CID 104651698
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
1-[5-[2-methylpropyl(propan-2-yl)amino]furan-2-yl]ethanone
CID 104651665
1-[5-[(1R)-2-amino-3-cyclohexyl-1-hydroxypropyl]furan-2-yl]ethanone
CID 70041422
methyl 4-[methyl-(5-methylfuran-2-yl)amino]cyclohexane-1-carboxylate
CID 115149255
5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid
CID 102863254
2-[(5-acetylfuran-2-yl)-(cyanomethyl)amino]acetonitrile
CID 104651498

Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone (CID 104651543) is 1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone is CC(=O)c1ccc(N(C)C2CCCC2)o1.
What is the InChIKey of 1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone?
The InChIKey is OAYZIHIMRWEZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(14)11-7-8-12(15-11)13(2)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone?
1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclopentyl(methyl)amino]furan-2-yl]ethanone is sourced from PubChem (CID 104651543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).