4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide

C13H19N3O3 — CID 20760743

IUPAC4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide
SMILESCCNNC(=O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C13H19N3O3/c1-2-14-15-13(19)9-3-5-10(6-4-9)16-11(17)7-8-12(16)18/h7-10,14H,2-6H2,1H3,(H,15,19)
InChIKeyNWZMOQLRXZHPEO-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.11
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide

4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide (PubChem CID 20760743) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide
PubChem CID20760743
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide
SMILESCCNNC(=O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C13H19N3O3/c1-2-14-15-13(19)9-3-5-10(6-4-9)16-11(17)7-8-12(16)18/h7-10,14H,2-6H2,1H3,(H,15,19)
InChIKeyNWZMOQLRXZHPEO-UHFFFAOYSA-N
XLogP0.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide (CID 20760743) is 4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide is CCNNC(=O)C1CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide?
The InChIKey is NWZMOQLRXZHPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-14-15-13(19)9-3-5-10(6-4-9)16-11(17)7-8-12(16)18/h7-10,14H,2-6H2,1H3,(H,15,19).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide?
4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide has a molecular weight of 265.31 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide is sourced from PubChem (CID 20760743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).