2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide

C12H14N2O2 — CID 102261399

IUPAC2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide
SMILES[H]/N=C1\OC(CC(=O)N(C)C)c2ccccc21
InChIInChI=1S/C12H14N2O2/c1-14(2)11(15)7-10-8-5-3-4-6-9(8)12(13)16-10/h3-6,10,13H,7H2,1-2H3/b13-12-
InChIKeySTCMXSUOGFJSGF-SEYXRHQNSA-N
MW218.26 g/mol
LogP1.56
Rot. Bonds2

About 2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide

2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide (PubChem CID 102261399) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide
PubChem CID102261399
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide
SMILES[H]/N=C1\OC(CC(=O)N(C)C)c2ccccc21
InChIInChI=1S/C12H14N2O2/c1-14(2)11(15)7-10-8-5-3-4-6-9(8)12(13)16-10/h3-6,10,13H,7H2,1-2H3/b13-12-
InChIKeySTCMXSUOGFJSGF-SEYXRHQNSA-N
XLogP1.56
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 16741594
3-butyl-3H-2-benzofuran-1-imine
CID 102261398
N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 24817895
3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 127046240
ethyl 2-[(1R)-3-methyl-1H-isochromen-1-yl]acetate
CID 101496548
N-[(2R)-1-methoxypropan-2-yl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94796777
2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide
CID 21316437
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3H-2-benzofuran-1-one
CID 15619731
(3R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 2477905
(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 6925216
3-[2-oxo-2-(2,3,4-trichlorophenyl)ethyl]-3H-2-benzofuran-1-one
CID 54341151
N-cyclopropyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 4791695

Frequently Asked Questions

What is the IUPAC name of 2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide (CID 102261399) is 2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide is [H]/N=C1\OC(CC(=O)N(C)C)c2ccccc21.
What is the InChIKey of 2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide?
The InChIKey is STCMXSUOGFJSGF-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14(2)11(15)7-10-8-5-3-4-6-9(8)12(13)16-10/h3-6,10,13H,7H2,1-2H3/b13-12-.
What are the key properties of 2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide?
2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide has a molecular weight of 218.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imino-1H-2-benzofuran-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 102261399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).