1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one

C17H22N2O2 — CID 51055508

IUPAC1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one
SMILESO=C1CC(/C(=N\O)c2ccccc2)CN1C1CCCCC1
InChIInChI=1S/C17H22N2O2/c20-16-11-14(12-19(16)15-9-5-2-6-10-15)17(18-21)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,21H,2,5-6,9-12H2/b18-17-
InChIKeyTUTQFYMRHJCRQH-ZCXUNETKSA-N
MW286.37 g/mol
LogP3.05
Rot. Bonds3

About 1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one

1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one (PubChem CID 51055508) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one
PubChem CID51055508
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one
SMILESO=C1CC(/C(=N\O)c2ccccc2)CN1C1CCCCC1
InChIInChI=1S/C17H22N2O2/c20-16-11-14(12-19(16)15-9-5-2-6-10-15)17(18-21)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,21H,2,5-6,9-12H2/b18-17-
InChIKeyTUTQFYMRHJCRQH-ZCXUNETKSA-N
XLogP3.05
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one (CID 51055508) is 1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one is O=C1CC(/C(=N\O)c2ccccc2)CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one?
The InChIKey is TUTQFYMRHJCRQH-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-11-14(12-19(16)15-9-5-2-6-10-15)17(18-21)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,21H,2,5-6,9-12H2/b18-17-.
What are the key properties of 1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one?
1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one has a molecular weight of 286.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one is sourced from PubChem (CID 51055508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).