N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide

C12H18N4O3 — CID 90328873

IUPACN'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
SMILESNNNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H18N4O3/c13-15-14-12(19)9-3-1-8(2-4-9)7-16-10(17)5-6-11(16)18/h5-6,8-9,15H,1-4,7,13H2,(H,14,19)
InChIKeyIRKOMYPQFLUIKB-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.79
Rot. Bonds4

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

N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide (PubChem CID 90328873) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide.

Molecular Properties

Compound NameN'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
PubChem CID90328873
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
SMILESNNNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C12H18N4O3/c13-15-14-12(19)9-3-1-8(2-4-9)7-16-10(17)5-6-11(16)18/h5-6,8-9,15H,1-4,7,13H2,(H,14,19)
InChIKeyIRKOMYPQFLUIKB-UHFFFAOYSA-N
XLogP-0.79
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide?
The IUPAC name of N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide (CID 90328873) is N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide.
What is the SMILES notation for N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide?
The canonical SMILES for N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide is NNNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide?
The InChIKey is IRKOMYPQFLUIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-15-14-12(19)9-3-1-8(2-4-9)7-16-10(17)5-6-11(16)18/h5-6,8-9,15H,1-4,7,13H2,(H,14,19).
What are the key properties of N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide?
N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide has a molecular weight of 266.30 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide is sourced from PubChem (CID 90328873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).