5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one

C14H17NO2 — CID 115236413

IUPAC5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one
SMILESCC(=O)CCCN(C)c1coc2ccccc12
InChIInChI=1S/C14H17NO2/c1-11(16)6-5-9-15(2)13-10-17-14-8-4-3-7-12(13)14/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyGUIJKZSFKOKHSC-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.24
Rot. Bonds5

About 5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one

5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one (PubChem CID 115236413) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one.

Molecular Properties

Compound Name5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one
PubChem CID115236413
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one
SMILESCC(=O)CCCN(C)c1coc2ccccc12
InChIInChI=1S/C14H17NO2/c1-11(16)6-5-9-15(2)13-10-17-14-8-4-3-7-12(13)14/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyGUIJKZSFKOKHSC-UHFFFAOYSA-N
XLogP3.24
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide
CID 115173717
2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252002
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
CID 115209916
N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199967
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
3-[1-benzofuran-3-yl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164001
4-[1-benzothiophen-3-yl(methyl)amino]butan-2-one
CID 115235591
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide
CID 115188587
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234

Frequently Asked Questions

What is the IUPAC name of 5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one?
The IUPAC name of 5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one (CID 115236413) is 5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one.
What is the SMILES notation for 5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one?
The canonical SMILES for 5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one is CC(=O)CCCN(C)c1coc2ccccc12.
What is the InChIKey of 5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one?
The InChIKey is GUIJKZSFKOKHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(16)6-5-9-15(2)13-10-17-14-8-4-3-7-12(13)14/h3-4,7-8,10H,5-6,9H2,1-2H3.
What are the key properties of 5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one?
5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one has a molecular weight of 231.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one is sourced from PubChem (CID 115236413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).