5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide

C11H16N4O2 — CID 63570130

IUPAC5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN(C)CCC#N)oc1C(=O)NN
InChIInChI=1S/C11H16N4O2/c1-8-6-9(7-15(2)5-3-4-12)17-10(8)11(16)14-13/h6H,3,5,7,13H2,1-2H3,(H,14,16)
InChIKeyCEVSDHROXUCGKM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.54
Rot. Bonds5

About 5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide

5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63570130) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
PubChem CID63570130
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN(C)CCC#N)oc1C(=O)NN
InChIInChI=1S/C11H16N4O2/c1-8-6-9(7-15(2)5-3-4-12)17-10(8)11(16)14-13/h6H,3,5,7,13H2,1-2H3,(H,14,16)
InChIKeyCEVSDHROXUCGKM-UHFFFAOYSA-N
XLogP0.54
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide
CID 63579656
5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 107206516
5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214220
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide
CID 63577547
3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63571014
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-methylfuran-2-carbohydrazide
CID 63578453
4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63570132
5-[(3-cyano-N-methylanilino)methyl]-3-methylfuran-2-carbohydrazide
CID 63571731
5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide
CID 63585841
5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 107493123
5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63572192
5-[[cyclohexyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214014

Frequently Asked Questions

What is the IUPAC name of 5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide (CID 63570130) is 5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(CN(C)CCC#N)oc1C(=O)NN.
What is the InChIKey of 5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is CEVSDHROXUCGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-6-9(7-15(2)5-3-4-12)17-10(8)11(16)14-13/h6H,3,5,7,13H2,1-2H3,(H,14,16).
What are the key properties of 5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 236.27 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63570130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).