2-(methylamino)-1-(4-methylfuran-3-yl)ethanone

C8H11NO2 — CID 96734131

IUPAC2-(methylamino)-1-(4-methylfuran-3-yl)ethanone
SMILESCNCC(=O)c1cocc1C
InChIInChI=1S/C8H11NO2/c1-6-4-11-5-7(6)8(10)3-9-2/h4-5,9H,3H2,1-2H3
InChIKeyQKPPSMNZWMPXLE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.99
Rot. Bonds3

About 2-(methylamino)-1-(4-methylfuran-3-yl)ethanone

2-(methylamino)-1-(4-methylfuran-3-yl)ethanone (PubChem CID 96734131) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(4-methylfuran-3-yl)ethanone
PubChem CID96734131
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(methylamino)-1-(4-methylfuran-3-yl)ethanone
SMILESCNCC(=O)c1cocc1C
InChIInChI=1S/C8H11NO2/c1-6-4-11-5-7(6)8(10)3-9-2/h4-5,9H,3H2,1-2H3
InChIKeyQKPPSMNZWMPXLE-UHFFFAOYSA-N
XLogP0.99
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
CID 96737699
1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
CID 131207475
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
1-(4-bromo-5-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84805710
1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84709294
1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117313439
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
CID 84784327
1-(4,5-dihydroxy-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 117298446
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 84708836
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-methylfuran-3-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(4-methylfuran-3-yl)ethanone (CID 96734131) is 2-(methylamino)-1-(4-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(4-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(4-methylfuran-3-yl)ethanone is CNCC(=O)c1cocc1C.
What is the InChIKey of 2-(methylamino)-1-(4-methylfuran-3-yl)ethanone?
The InChIKey is QKPPSMNZWMPXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-4-11-5-7(6)8(10)3-9-2/h4-5,9H,3H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(4-methylfuran-3-yl)ethanone?
2-(methylamino)-1-(4-methylfuran-3-yl)ethanone has a molecular weight of 153.18 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-methylfuran-3-yl)ethanone is sourced from PubChem (CID 96734131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).