N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

C17H17N3O3 — CID 2218036

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C17H17N3O3/c21-15-8-7-12-5-1-2-6-13(12)14(15)11-18-19-16(22)17(23)20-9-3-4-10-20/h1-2,5-8,11,21H,3-4,9-10H2,(H,19,22)
InChIKeyIKCGURZWWIJFOS-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.62
Rot. Bonds2

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 2218036) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID2218036
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C17H17N3O3/c21-15-8-7-12-5-1-2-6-13(12)14(15)11-18-19-16(22)17(23)20-9-3-4-10-20/h1-2,5-8,11,21H,3-4,9-10H2,(H,19,22)
InChIKeyIKCGURZWWIJFOS-UHFFFAOYSA-N
XLogP1.62
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(azepan-1-yl)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-oxoacetamide
CID 3737629
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 3537553
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 136900702
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136815761
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 2218036) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(NN=Cc1c(O)ccc2ccccc12)C(=O)N1CCCC1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is IKCGURZWWIJFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-15-8-7-12-5-1-2-6-13(12)14(15)11-18-19-16(22)17(23)20-9-3-4-10-20/h1-2,5-8,11,21H,3-4,9-10H2,(H,19,22).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 311.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2218036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).