3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide

C12H18N2O3 — CID 106206548

IUPAC3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1occc1COCCC1CCC1
InChIInChI=1S/C12H18N2O3/c13-14-12(15)11-10(5-7-17-11)8-16-6-4-9-2-1-3-9/h5,7,9H,1-4,6,8,13H2,(H,14,15)
InChIKeyFHBZNTPPEZVPEW-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.59
Rot. Bonds6

About 3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide

3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide (PubChem CID 106206548) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide
PubChem CID106206548
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1occc1COCCC1CCC1
InChIInChI=1S/C12H18N2O3/c13-14-12(15)11-10(5-7-17-11)8-16-6-4-9-2-1-3-9/h5,7,9H,1-4,6,8,13H2,(H,14,15)
InChIKeyFHBZNTPPEZVPEW-UHFFFAOYSA-N
XLogP1.59
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide?
The IUPAC name of 3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide (CID 106206548) is 3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for 3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide is NNC(=O)c1occc1COCCC1CCC1.
What is the InChIKey of 3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide?
The InChIKey is FHBZNTPPEZVPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-14-12(15)11-10(5-7-17-11)8-16-6-4-9-2-1-3-9/h5,7,9H,1-4,6,8,13H2,(H,14,15).
What are the key properties of 3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide?
3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide has a molecular weight of 238.29 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 106206548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).