N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide

C13H18N2O3 — CID 2529626

IUPACN'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCCC2)c(C)o1
InChIInChI=1S/C13H18N2O3/c1-8-7-11(9(2)18-8)13(17)15-14-12(16)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWQLPFSVAWDLWNE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.85
Rot. Bonds2

About N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide

N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 2529626) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide
PubChem CID2529626
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCCC2)c(C)o1
InChIInChI=1S/C13H18N2O3/c1-8-7-11(9(2)18-8)13(17)15-14-12(16)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWQLPFSVAWDLWNE-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
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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Related Compounds

5-(Tert-butyl)-2-methyl-3-furamide
CID 704149
N'-(2-fluorobenzoyl)-2-methyl-3-furohydrazide
CID 2223043
2,5-Dimethylfuran-3-carbohydrazide
CID 2360209
N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide
CID 2545942
2,5-dimethyl-N'-(2-phenylpentanoyl)furan-3-carbohydrazide
CID 4355478
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7478965
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468210
2-Methylfuran-3-carbohydrazide
CID 1987739
5-Methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 2775640
4-Fluoro-benzoic acid N'-(2-methyl-furan-3-carbonyl)-hydrazide
CID 772287
N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-2-methyl-3-furohydrazide
CID 832648
2-methyl-N'-(phenylacetyl)-3-furohydrazide
CID 833135

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide (CID 2529626) is N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)C2CCCC2)c(C)o1.
What is the InChIKey of N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is WQLPFSVAWDLWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-7-11(9(2)18-8)13(17)15-14-12(16)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide?
N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 250.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentanecarbonyl)-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 2529626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).