1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone

C9H14N2O2 — CID 82407782

IUPAC1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(N(C)C)co1
InChIInChI=1S/C9H14N2O2/c1-10-5-8(12)9-4-7(6-13-9)11(2)3/h4,6,10H,5H2,1-3H3
InChIKeyBDLPKJYTOKYLPC-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.75
Rot. Bonds4

About 1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone

1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone (PubChem CID 82407782) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone
PubChem CID82407782
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(N(C)C)co1
InChIInChI=1S/C9H14N2O2/c1-10-5-8(12)9-4-7(6-13-9)11(2)3/h4,6,10H,5H2,1-3H3
InChIKeyBDLPKJYTOKYLPC-UHFFFAOYSA-N
XLogP0.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone
CID 82407783
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
1-(5,6-dihydro-4H-cyclopenta[b]furan-2-yl)-2-(methylamino)ethanone
CID 96629279
1-(2-bromo-1,3-oxazol-4-yl)-2-(methylamino)ethanone
CID 84684260
2-(methylamino)-1-(4-methylfuran-3-yl)ethanone
CID 96734131
1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
CID 96737699
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152114
2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
CID 82496236
1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone
CID 117108260
1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone
CID 117359147
1-[3-[(dimethylamino)methyl]-2-hydroxy-5-methylphenyl]-2-(methylamino)ethanone
CID 117345357

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone (CID 82407782) is 1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone is CNCC(=O)c1cc(N(C)C)co1.
What is the InChIKey of 1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone?
The InChIKey is BDLPKJYTOKYLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-10-5-8(12)9-4-7(6-13-9)11(2)3/h4,6,10H,5H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone?
1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone has a molecular weight of 182.22 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)furan-2-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 82407782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).