[(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate

C14H13N3O5 — CID 165363428

IUPAC[(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate
SMILESCC(=O)ON=C1CN(c2ccccc2)C(=O)C1=NOC(C)=O
InChIInChI=1S/C14H13N3O5/c1-9(18)21-15-12-8-17(11-6-4-3-5-7-11)14(20)13(12)16-22-10(2)19/h3-7H,8H2,1-2H3
InChIKeyNILNTCATMSBWEI-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.87
Rot. Bonds3

About [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate

[(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate (PubChem CID 165363428) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate.

Molecular Properties

Compound Name[(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate
PubChem CID165363428
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name[(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate
SMILESCC(=O)ON=C1CN(c2ccccc2)C(=O)C1=NOC(C)=O
InChIInChI=1S/C14H13N3O5/c1-9(18)21-15-12-8-17(11-6-4-3-5-7-11)14(20)13(12)16-22-10(2)19/h3-7H,8H2,1-2H3
InChIKeyNILNTCATMSBWEI-UHFFFAOYSA-N
XLogP0.87
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate?
The IUPAC name of [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate (CID 165363428) is [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate.
What is the SMILES notation for [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate?
The canonical SMILES for [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate is CC(=O)ON=C1CN(c2ccccc2)C(=O)C1=NOC(C)=O.
What is the InChIKey of [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate?
The InChIKey is NILNTCATMSBWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-9(18)21-15-12-8-17(11-6-4-3-5-7-11)14(20)13(12)16-22-10(2)19/h3-7H,8H2,1-2H3.
What are the key properties of [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate?
[(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate has a molecular weight of 303.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-acetyloxyimino-5-oxo-1-phenylpyrrolidin-3-ylidene)amino] acetate is sourced from PubChem (CID 165363428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).