4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide

C11H16N4O2 — CID 63570132

IUPAC4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN(C)CCC#N
InChIInChI=1S/C11H16N4O2/c1-8-9(7-15(2)5-3-4-12)6-10(17-8)11(16)14-13/h6H,3,5,7,13H2,1-2H3,(H,14,16)
InChIKeyBOTIKQJCQOUQPL-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.54
Rot. Bonds5

About 4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide

4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63570132) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63570132
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN(C)CCC#N
InChIInChI=1S/C11H16N4O2/c1-8-9(7-15(2)5-3-4-12)6-10(17-8)11(16)14-13/h6H,3,5,7,13H2,1-2H3,(H,14,16)
InChIKeyBOTIKQJCQOUQPL-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

4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 55213467
5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573240
5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63570130
5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide
CID 63571436
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[(N,2-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63584013
4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 113469239
4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63572329
4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63585085
2-[2-[[2-cyanoethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465318
3-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]propanenitrile
CID 115230986

Frequently Asked Questions

What is the IUPAC name of 4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide (CID 63570132) is 4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CN(C)CCC#N.
What is the InChIKey of 4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is BOTIKQJCQOUQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-9(7-15(2)5-3-4-12)6-10(17-8)11(16)14-13/h6H,3,5,7,13H2,1-2H3,(H,14,16).
What are the key properties of 4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
4-[[2-cyanoethyl(methyl)amino]methyl]-5-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 4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63570132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).