3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one

C12H17NO2 — CID 79642573

IUPAC3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one
SMILESCCN(Cc1ccco1)C1CCC(=O)C1
InChIInChI=1S/C12H17NO2/c1-2-13(9-12-4-3-7-15-12)10-5-6-11(14)8-10/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyZGDXFXAPDPMNIW-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.22
Rot. Bonds4

About 3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one

3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one (PubChem CID 79642573) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one
PubChem CID79642573
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one
SMILESCCN(Cc1ccco1)C1CCC(=O)C1
InChIInChI=1S/C12H17NO2/c1-2-13(9-12-4-3-7-15-12)10-5-6-11(14)8-10/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyZGDXFXAPDPMNIW-UHFFFAOYSA-N
XLogP2.22
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(furan-2-ylmethyl)amino]cyclohexan-1-ol
CID 61423026
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62612741
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
3-(dibutylamino)cyclopentan-1-one
CID 79644207
5-[cyclopropylmethyl(propyl)amino]-1-ethyl-N-(furan-2-ylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165441
ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate
CID 80549181
N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120172
1-N-cyclopentyl-1-N-(furan-2-ylmethyl)pentane-1,2-diamine
CID 102550766
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one?
The IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one (CID 79642573) is 3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one.
What is the SMILES notation for 3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one?
The canonical SMILES for 3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one is CCN(Cc1ccco1)C1CCC(=O)C1.
What is the InChIKey of 3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one?
The InChIKey is ZGDXFXAPDPMNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-13(9-12-4-3-7-15-12)10-5-6-11(14)8-10/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of 3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one?
3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one is sourced from PubChem (CID 79642573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).