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

C12H18ClN3O3 — CID 89429157

IUPAC1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)C1(CN2C(=O)C=CC2=O)CCCCC1
InChIInChI=1S/C12H17N3O3.ClH/c13-14-11(18)12(6-2-1-3-7-12)8-15-9(16)4-5-10(15)17;/h4-5H,1-3,6-8,13H2,(H,14,18);1H
InChIKeyALZRWWKIJKQOAS-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.27
Rot. Bonds3

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

1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride (PubChem CID 89429157) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride
PubChem CID89429157
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)C1(CN2C(=O)C=CC2=O)CCCCC1
InChIInChI=1S/C12H17N3O3.ClH/c13-14-11(18)12(6-2-1-3-7-12)8-15-9(16)4-5-10(15)17;/h4-5H,1-3,6-8,13H2,(H,14,18);1H
InChIKeyALZRWWKIJKQOAS-UHFFFAOYSA-N
XLogP0.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.27
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 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride?
The IUPAC name of 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride (CID 89429157) is 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride.
What is the SMILES notation for 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride?
The canonical SMILES for 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride is Cl.NNC(=O)C1(CN2C(=O)C=CC2=O)CCCCC1.
What is the InChIKey of 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride?
The InChIKey is ALZRWWKIJKQOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c13-14-11(18)12(6-2-1-3-7-12)8-15-9(16)4-5-10(15)17;/h4-5H,1-3,6-8,13H2,(H,14,18);1H.
What are the key properties of 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride?
1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride is sourced from PubChem (CID 89429157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).