2-[furan-3-ylmethyl(methyl)amino]butanehydrazide

C10H17N3O2 — CID 63584965

IUPAC2-[furan-3-ylmethyl(methyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(C)Cc1ccoc1
InChIInChI=1S/C10H17N3O2/c1-3-9(10(14)12-11)13(2)6-8-4-5-15-7-8/h4-5,7,9H,3,6,11H2,1-2H3,(H,12,14)
InChIKeyIDBPKZXLVIQORB-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.48
Rot. Bonds5

About 2-[furan-3-ylmethyl(methyl)amino]butanehydrazide

2-[furan-3-ylmethyl(methyl)amino]butanehydrazide (PubChem CID 63584965) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[furan-3-ylmethyl(methyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-[furan-3-ylmethyl(methyl)amino]butanehydrazide
PubChem CID63584965
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name2-[furan-3-ylmethyl(methyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(C)Cc1ccoc1
InChIInChI=1S/C10H17N3O2/c1-3-9(10(14)12-11)13(2)6-8-4-5-15-7-8/h4-5,7,9H,3,6,11H2,1-2H3,(H,12,14)
InChIKeyIDBPKZXLVIQORB-UHFFFAOYSA-N
XLogP0.48
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.48
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-[furan-3-ylmethyl(methyl)amino]butanehydrazide?
The IUPAC name of 2-[furan-3-ylmethyl(methyl)amino]butanehydrazide (CID 63584965) is 2-[furan-3-ylmethyl(methyl)amino]butanehydrazide.
What is the SMILES notation for 2-[furan-3-ylmethyl(methyl)amino]butanehydrazide?
The canonical SMILES for 2-[furan-3-ylmethyl(methyl)amino]butanehydrazide is CCC(C(=O)NN)N(C)Cc1ccoc1.
What is the InChIKey of 2-[furan-3-ylmethyl(methyl)amino]butanehydrazide?
The InChIKey is IDBPKZXLVIQORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-9(10(14)12-11)13(2)6-8-4-5-15-7-8/h4-5,7,9H,3,6,11H2,1-2H3,(H,12,14).
What are the key properties of 2-[furan-3-ylmethyl(methyl)amino]butanehydrazide?
2-[furan-3-ylmethyl(methyl)amino]butanehydrazide has a molecular weight of 211.27 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-3-ylmethyl(methyl)amino]butanehydrazide is sourced from PubChem (CID 63584965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).