1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone

C9H13NO2 — CID 96737699

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)oc1C
InChIInChI=1S/C9H13NO2/c1-6-4-8(7(2)12-6)9(11)5-10-3/h4,10H,5H2,1-3H3
InChIKeyOWGDUVYAXOUARY-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.30
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone

1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone (PubChem CID 96737699) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
PubChem CID96737699
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)oc1C
InChIInChI=1S/C9H13NO2/c1-6-4-8(7(2)12-6)9(11)5-10-3/h4,10H,5H2,1-3H3
InChIKeyOWGDUVYAXOUARY-UHFFFAOYSA-N
XLogP1.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,5-dimethylfuran-3-yl)-3-oxopropanoate
CID 79679462
1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
CID 43321269
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603
1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone
CID 115792625
lithium 2,5-dimethylfuran-3-carboxylate
CID 58078185
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
CID 61127079
2-(methylamino)-1-(4-methylfuran-3-yl)ethanone
CID 96734131
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)propane-1,3-dione
CID 82967731
1-(3-bromophenyl)-3-(2,5-dimethylfuran-3-yl)propane-1,3-dione
CID 43321253
1-(2,5-dimethylfuran-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861107
1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
CID 115795910
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone (CID 96737699) is 1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone?
The InChIKey is OWGDUVYAXOUARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-4-8(7(2)12-6)9(11)5-10-3/h4,10H,5H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone?
1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone has a molecular weight of 167.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 96737699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).