3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide

C14H20N2O3 — CID 55214365

IUPAC3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide
SMILESCC1CC=CCC1COCc1ccoc1C(=O)NN
InChIInChI=1S/C14H20N2O3/c1-10-4-2-3-5-11(10)8-18-9-12-6-7-19-13(12)14(17)16-15/h2-3,6-7,10-11H,4-5,8-9,15H2,1H3,(H,16,17)
InChIKeyYZMHBVHHPAGDCD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.00
Rot. Bonds5

About 3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide

3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide (PubChem CID 55214365) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide
PubChem CID55214365
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide
SMILESCC1CC=CCC1COCc1ccoc1C(=O)NN
InChIInChI=1S/C14H20N2O3/c1-10-4-2-3-5-11(10)8-18-9-12-6-7-19-13(12)14(17)16-15/h2-3,6-7,10-11H,4-5,8-9,15H2,1H3,(H,16,17)
InChIKeyYZMHBVHHPAGDCD-UHFFFAOYSA-N
XLogP2.00
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.00
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': 'isolated_alkene', '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-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide (CID 55214365) is 3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide is CC1CC=CCC1COCc1ccoc1C(=O)NN.
What is the InChIKey of 3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide?
The InChIKey is YZMHBVHHPAGDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-4-2-3-5-11(10)8-18-9-12-6-7-19-13(12)14(17)16-15/h2-3,6-7,10-11H,4-5,8-9,15H2,1H3,(H,16,17).
What are the key properties of 3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide?
3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide has a molecular weight of 264.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide is sourced from PubChem (CID 55214365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).