1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide

C11H19N3O2 — CID 154733807

IUPAC1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
SMILESNC(=NO)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C11H19N3O2/c12-11(13-16)8-6-10(15)14(7-8)9-4-2-1-3-5-9/h8-9,16H,1-7H2,(H2,12,13)
InChIKeyBYGWOUDARMEKNF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.91
Rot. Bonds2

About 1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide

1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide (PubChem CID 154733807) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide.

Molecular Properties

Compound Name1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
PubChem CID154733807
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
SMILESNC(=NO)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C11H19N3O2/c12-11(13-16)8-6-10(15)14(7-8)9-4-2-1-3-5-9/h8-9,16H,1-7H2,(H2,12,13)
InChIKeyBYGWOUDARMEKNF-UHFFFAOYSA-N
XLogP0.91
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide?
The IUPAC name of 1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide (CID 154733807) is 1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide.
What is the SMILES notation for 1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide?
The canonical SMILES for 1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide is NC(=NO)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide?
The InChIKey is BYGWOUDARMEKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-11(13-16)8-6-10(15)14(7-8)9-4-2-1-3-5-9/h8-9,16H,1-7H2,(H2,12,13).
What are the key properties of 1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide?
1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide has a molecular weight of 225.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide is sourced from PubChem (CID 154733807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).