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

C11H19N3O3 — CID 55214220

IUPAC5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN(C)CC(C)O)oc1C(=O)NN
InChIInChI=1S/C11H19N3O3/c1-7-4-9(6-14(3)5-8(2)15)17-10(7)11(16)13-12/h4,8,15H,5-6,12H2,1-3H3,(H,13,16)
InChIKeyDHTQEOSNVXOLJW-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.00
Rot. Bonds5

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

5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 55214220) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
PubChem CID55214220
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN(C)CC(C)O)oc1C(=O)NN
InChIInChI=1S/C11H19N3O3/c1-7-4-9(6-14(3)5-8(2)15)17-10(7)11(16)13-12/h4,8,15H,5-6,12H2,1-3H3,(H,13,16)
InChIKeyDHTQEOSNVXOLJW-UHFFFAOYSA-N
XLogP0.00
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.00
H-Bond Donors ≤ 53
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
3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63571014
5-[[2-cyanoethyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63570130
5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 107206516
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-methylfuran-2-carbohydrazide
CID 63578453
5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide
CID 63585841
methyl 5-[[3-hydroxybutyl(methyl)amino]methyl]-3-methylfuran-2-carboxylate
CID 111488799
5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 107493123
3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63584455
5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63572192
5-[[cyclohexyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214014
3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 79491300

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide (CID 55214220) is 5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(CN(C)CC(C)O)oc1C(=O)NN.
What is the InChIKey of 5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is DHTQEOSNVXOLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7-4-9(6-14(3)5-8(2)15)17-10(7)11(16)13-12/h4,8,15H,5-6,12H2,1-3H3,(H,13,16).
What are the key properties of 5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide?
5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 241.29 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 55214220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).