methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate

C10H10N2O4 — CID 108733946

IUPACmethyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(C)=O)c1C#N
InChIInChI=1S/C10H10N2O4/c1-5-8(10(14)15-3)7(4-11)9(16-5)12-6(2)13/h1-3H3,(H,12,13)
InChIKeyQEOSCXHUTYDFLB-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.20
Rot. Bonds2

About methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate

methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate (PubChem CID 108733946) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
PubChem CID108733946
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Namemethyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(C)=O)c1C#N
InChIInChI=1S/C10H10N2O4/c1-5-8(10(14)15-3)7(4-11)9(16-5)12-6(2)13/h1-3H3,(H,12,13)
InChIKeyQEOSCXHUTYDFLB-UHFFFAOYSA-N
XLogP1.20
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(2-chloropropanoylamino)-4-cyano-2-methylfuran-3-carboxylate
CID 108733953
methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757369
methyl 4-cyano-2-methyl-5-(3-methylbutanoylamino)furan-3-carboxylate
CID 108757238
methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757254
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108781661
methyl 4-cyano-2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108757311
methyl 4-cyano-2-methyl-5-(4-phenoxybutanoylamino)furan-3-carboxylate
CID 108757360
methyl 4-cyano-2-methyl-5-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]furan-3-carboxylate
CID 108733987
methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
CID 108757223
methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108733932
methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate
CID 108774291

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate (CID 108733946) is methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate is COC(=O)c1c(C)oc(NC(C)=O)c1C#N.
What is the InChIKey of methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate?
The InChIKey is QEOSCXHUTYDFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-5-8(10(14)15-3)7(4-11)9(16-5)12-6(2)13/h1-3H3,(H,12,13).
What are the key properties of methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate?
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate has a molecular weight of 222.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108733946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).