2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide

C11H19N3O2 — CID 63572711

IUPAC2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
SMILESCCCN(C)Cc1cc(C(=O)NN)c(C)o1
InChIInChI=1S/C11H19N3O2/c1-4-5-14(3)7-9-6-10(8(2)16-9)11(15)13-12/h6H,4-5,7,12H2,1-3H3,(H,13,15)
InChIKeyVEIKEZTUMNBEAR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.03
Rot. Bonds5

About 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide

2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide (PubChem CID 63572711) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
PubChem CID63572711
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
SMILESCCCN(C)Cc1cc(C(=O)NN)c(C)o1
InChIInChI=1S/C11H19N3O2/c1-4-5-14(3)7-9-6-10(8(2)16-9)11(15)13-12/h6H,4-5,7,12H2,1-3H3,(H,13,15)
InChIKeyVEIKEZTUMNBEAR-UHFFFAOYSA-N
XLogP1.03
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide (CID 63572711) is 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide is CCCN(C)Cc1cc(C(=O)NN)c(C)o1.
What is the InChIKey of 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is VEIKEZTUMNBEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-14(3)7-9-6-10(8(2)16-9)11(15)13-12/h6H,4-5,7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide?
2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 225.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63572711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).