N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

C14H17N3O4 — CID 135446554

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)N2CCCC2)c1O
InChIInChI=1S/C14H17N3O4/c1-21-11-6-4-5-10(12(11)18)9-15-16-13(19)14(20)17-7-2-3-8-17/h4-6,9,18H,2-3,7-8H2,1H3,(H,16,19)/b15-9+
InChIKeyWFLWBLQWRQYMBK-OQLLNIDSSA-N
MW291.31 g/mol
LogP0.47
Rot. Bonds3

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 135446554) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID135446554
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)N2CCCC2)c1O
InChIInChI=1S/C14H17N3O4/c1-21-11-6-4-5-10(12(11)18)9-15-16-13(19)14(20)17-7-2-3-8-17/h4-6,9,18H,2-3,7-8H2,1H3,(H,16,19)/b15-9+
InChIKeyWFLWBLQWRQYMBK-OQLLNIDSSA-N
XLogP0.47
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_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 N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 135446554) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is COc1cccc(/C=N/NC(=O)C(=O)N2CCCC2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is WFLWBLQWRQYMBK-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-11-6-4-5-10(12(11)18)9-15-16-13(19)14(20)17-7-2-3-8-17/h4-6,9,18H,2-3,7-8H2,1H3,(H,16,19)/b15-9+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 291.31 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 135446554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).