4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile

C15H14N2O2 — CID 62034806

IUPAC4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile
SMILESCN(CC(=O)c1ccc(C#N)cc1)Cc1ccoc1
InChIInChI=1S/C15H14N2O2/c1-17(9-13-6-7-19-11-13)10-15(18)14-4-2-12(8-16)3-5-14/h2-7,11H,9-10H2,1H3
InChIKeyHMVULJREGMZLMD-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.47
Rot. Bonds5

About 4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile

4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile (PubChem CID 62034806) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile
PubChem CID62034806
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile
SMILESCN(CC(=O)c1ccc(C#N)cc1)Cc1ccoc1
InChIInChI=1S/C15H14N2O2/c1-17(9-13-6-7-19-11-13)10-15(18)14-4-2-12(8-16)3-5-14/h2-7,11H,9-10H2,1H3
InChIKeyHMVULJREGMZLMD-UHFFFAOYSA-N
XLogP2.47
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61222771
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544
1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 62034992
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809
4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
CID 62035950
4-[2-[butyl(methyl)amino]acetyl]benzonitrile
CID 43227818
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 62035144
4-[2-(N-methylanilino)acetyl]benzonitrile
CID 43227448
4-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]acetyl]benzonitrile
CID 63274146
4-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetyl]benzonitrile
CID 62030522
1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 104750523

Frequently Asked Questions

What is the IUPAC name of 4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile?
The IUPAC name of 4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile (CID 62034806) is 4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile.
What is the SMILES notation for 4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile?
The canonical SMILES for 4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile is CN(CC(=O)c1ccc(C#N)cc1)Cc1ccoc1.
What is the InChIKey of 4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile?
The InChIKey is HMVULJREGMZLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-17(9-13-6-7-19-11-13)10-15(18)14-4-2-12(8-16)3-5-14/h2-7,11H,9-10H2,1H3.
What are the key properties of 4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile?
4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile is sourced from PubChem (CID 62034806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).