4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide

C11H15N3O3 — CID 20760742

IUPAC4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C11H15N3O3/c12-13-11(17)7-1-3-8(4-2-7)14-9(15)5-6-10(14)16/h5-8H,1-4,12H2,(H,13,17)
InChIKeyPPTQLZQAKODRJN-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.54
Rot. Bonds2

About 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide

4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide (PubChem CID 20760742) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide
PubChem CID20760742
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C11H15N3O3/c12-13-11(17)7-1-3-8(4-2-7)14-9(15)5-6-10(14)16/h5-8H,1-4,12H2,(H,13,17)
InChIKeyPPTQLZQAKODRJN-UHFFFAOYSA-N
XLogP-0.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.54
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'}, {'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)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide (CID 20760742) is 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide is NNC(=O)C1CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide?
The InChIKey is PPTQLZQAKODRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-13-11(17)7-1-3-8(4-2-7)14-9(15)5-6-10(14)16/h5-8H,1-4,12H2,(H,13,17).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide?
4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide has a molecular weight of 237.26 g/mol, XLogP of -0.54, 2 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)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 20760742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).