4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide

C13H19N3O3 — CID 71081334

IUPAC4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide
SMILESCN(N)C(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C13H19N3O3/c1-15(14)13(19)10-4-2-9(3-5-10)8-16-11(17)6-7-12(16)18/h6-7,9-10H,2-5,8,14H2,1H3
InChIKeyOAVVTOHOAHAIPW-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.05
Rot. Bonds3

About 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide

4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide (PubChem CID 71081334) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide
PubChem CID71081334
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide
SMILESCN(N)C(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C13H19N3O3/c1-15(14)13(19)10-4-2-9(3-5-10)8-16-11(17)6-7-12(16)18/h6-7,9-10H,2-5,8,14H2,1H3
InChIKeyOAVVTOHOAHAIPW-UHFFFAOYSA-N
XLogP0.05
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
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)methyl]-N-methylcyclohexane-1-carbohydrazide?
The IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide (CID 71081334) is 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide?
The canonical SMILES for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide is CN(N)C(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide?
The InChIKey is OAVVTOHOAHAIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15(14)13(19)10-4-2-9(3-5-10)8-16-11(17)6-7-12(16)18/h6-7,9-10H,2-5,8,14H2,1H3.
What are the key properties of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide?
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide has a molecular weight of 265.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-methylcyclohexane-1-carbohydrazide is sourced from PubChem (CID 71081334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).