5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide

C13H20N2O3 — CID 55213213

IUPAC5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
SMILESCC1CCCC(OCc2ccc(C(=O)NN)o2)C1
InChIInChI=1S/C13H20N2O3/c1-9-3-2-4-10(7-9)17-8-11-5-6-12(18-11)13(16)15-14/h5-6,9-10H,2-4,7-8,14H2,1H3,(H,15,16)
InChIKeyINZJYAGNFOKPDT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.98
Rot. Bonds4

About 5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide

5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide (PubChem CID 55213213) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
PubChem CID55213213
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
SMILESCC1CCCC(OCc2ccc(C(=O)NN)o2)C1
InChIInChI=1S/C13H20N2O3/c1-9-3-2-4-10(7-9)17-8-11-5-6-12(18-11)13(16)15-14/h5-6,9-10H,2-4,7-8,14H2,1H3,(H,15,16)
InChIKeyINZJYAGNFOKPDT-UHFFFAOYSA-N
XLogP1.98
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.98
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 5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide (CID 55213213) is 5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide is CC1CCCC(OCc2ccc(C(=O)NN)o2)C1.
What is the InChIKey of 5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide?
The InChIKey is INZJYAGNFOKPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-3-2-4-10(7-9)17-8-11-5-6-12(18-11)13(16)15-14/h5-6,9-10H,2-4,7-8,14H2,1H3,(H,15,16).
What are the key properties of 5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide?
5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide is sourced from PubChem (CID 55213213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).