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

C12H18ClN3O3 — CID 16737821

IUPAC4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H17N3O3.ClH/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);1H
InChIKeyCKGAFBJFAXITJV-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.13
Rot. Bonds3

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

4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride (PubChem CID 16737821) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride
PubChem CID16737821
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H17N3O3.ClH/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);1H
InChIKeyCKGAFBJFAXITJV-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
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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Related Compounds

E-Maleimidocaproic acid hydrazine hydrochloride
CID 44119987
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
[[4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]carbamoyl 2,2,2-trifluoroacetate
CID 174241392
11-Maleimidoundecanoic Acid Hydrazide
CID 4438236
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 20619115
4-(2,5-Dioxopyrrol-1-yl)cyclohexane-1-carbohydrazide
CID 20760742
4-(2,5-dioxopyrrol-1-yl)-N'-ethylcyclohexane-1-carbohydrazide
CID 20760743
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-phosphanylcyclohexane-1-carboxamide
CID 23518237
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-propylcyclohexane-1-carboxamide
CID 57543359

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride?
The IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride (CID 16737821) is 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride.
What is the SMILES notation for 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride?
The canonical SMILES for 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride is 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;hydrochloride?
The InChIKey is CKGAFBJFAXITJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/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);1H.
What are the key properties of 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride?
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 0.13, 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;hydrochloride is sourced from PubChem (CID 16737821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).