N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide

C13H18N2O3 — CID 846329

IUPACN'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C13H18N2O3/c1-9-11(7-8-18-9)13(17)15-14-12(16)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyZILZIWFWOWDNAR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.93
Rot. Bonds2

About N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide

N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide (PubChem CID 846329) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide
PubChem CID846329
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C13H18N2O3/c1-9-11(7-8-18-9)13(17)15-14-12(16)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyZILZIWFWOWDNAR-UHFFFAOYSA-N
XLogP1.93
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide (CID 846329) is N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is ZILZIWFWOWDNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-11(7-8-18-9)13(17)15-14-12(16)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide?
N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 250.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexanecarbonyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 846329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).