4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride

C12H19Cl2N3O3 — CID 66688235

IUPAC4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H17N3O3.2ClH/c13-14-12(18)9-3-1-8(2-4-9)7-15-10(16)5-6-11(15)17;;/h5-6,8-9H,1-4,7,13H2,(H,14,18);2*1H
InChIKeyIXEORJVJJWQUDZ-UHFFFAOYSA-N
MW324.21 g/mol
LogP0.55
Rot. Bonds3

About 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride

4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride (PubChem CID 66688235) has the molecular formula C12H19Cl2N3O3 and a molecular weight of 324.21 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride
PubChem CID66688235
Molecular FormulaC12H19Cl2N3O3
Molecular Weight324.21 g/mol
Exact Mass323.08
IUPAC Name4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H17N3O3.2ClH/c13-14-12(18)9-3-1-8(2-4-9)7-15-10(16)5-6-11(15)17;;/h5-6,8-9H,1-4,7,13H2,(H,14,18);2*1H
InChIKeyIXEORJVJJWQUDZ-UHFFFAOYSA-N
XLogP0.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 50.55
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'}

Analyze 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexanecarbohydrazide
CID 4200874
4-(Maleimidomethyl)cyclohexane-1-carboxyl-hydrazide, Trifluoroacetic Acid Salt
CID 53482070
4-[(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]cyclohexanecarboxamide
CID 66787227
4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;1,1,1-trifluoropropan-2-one
CID 91069004
11-Maleimidoundecanoic Acid Hydrazide
CID 4438236
Mal-C2-cyclohexylcarboxyl-hydrazide hydrochloride
CID 16737821
4-(2,5-Dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide
CID 20760742
4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide
CID 20760743
[[2-[4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]amino]azanium
CID 59266690
N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-2-ethylpentanehydrazide
CID 68280462
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide
CID 71081334
1-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride
CID 89429157

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride?
The IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride (CID 66688235) is 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride.
What is the SMILES notation for 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride?
The canonical SMILES for 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride is Cl.Cl.NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride?
The InChIKey is IXEORJVJJWQUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.2ClH/c13-14-12(18)9-3-1-8(2-4-9)7-15-10(16)5-6-11(15)17;;/h5-6,8-9H,1-4,7,13H2,(H,14,18);2*1H.
What are the key properties of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride?
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;dihydrochloride has a molecular weight of 324.21 g/mol, XLogP of 0.55, 3 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)methyl]cyclohexane-1-carbohydrazide;dihydrochloride is sourced from PubChem (CID 66688235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).