N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

C17H17N3O2 — CID 5339194

IUPACN-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(N/N=C/c1cccc2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C17H17N3O2/c21-16(17(22)20-10-3-4-11-20)19-18-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,12H,3-4,10-11H2,(H,19,21)/b18-12+
InChIKeyFDXMQRNMJVMXBZ-LDADJPATSA-N
MW295.34 g/mol
LogP1.91
Rot. Bonds2

About N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 5339194) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID5339194
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(N/N=C/c1cccc2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C17H17N3O2/c21-16(17(22)20-10-3-4-11-20)19-18-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,12H,3-4,10-11H2,(H,19,21)/b18-12+
InChIKeyFDXMQRNMJVMXBZ-LDADJPATSA-N
XLogP1.91
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 6881453
2-(4-morpholinyl)-N'-(1-naphthylmethylene)acetohydrazide
CID 6894999
N'-(diphenylmethylene)-2-(1-pyrrolidinyl)acetohydrazide
CID 3725669
2-(1-azepanyl)-N'-(2-naphthylmethylene)acetohydrazide
CID 5331600
(E)-2-(2-(anthracen-9-ylmethylene)hydrazinyl)-N,N,N-trimethyl-2-oxoethanaminium chloride
CID 16806969
1-Piperidineacetic acid, (2-naphthalenylmethylene)hydrazide, monohydrochloride
CID 9578611
1-Piperidineacetic acid, (1-naphthalenylmethylene)hydrazide, monohydrochloride
CID 9578625
1-Pyrrolidineacetic acid, ((2,3,5,6-tetramethylphenyl)methylene)hydrazide, monohydrochloride
CID 9578634
Glycine, N,N-diethyl-, (1-naphthalenylmethylene)hydrazide, monohydrochloride
CID 9578638
1-Piperazineacetic acid, 4-methyl-, 2-(1-naphthylmethylene)hydrazide
CID 9588183
Glycine, N-(2-phenylethyl)-, (1-naphthalenylmethylene)hydrazide
CID 9588184
Glycine, N-methyl-N-(alpha-methylphenethyl)-, 2-(1-naphthylmethylene)hydrazide
CID 9588185

Frequently Asked Questions

What is the IUPAC name of N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 5339194) is N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(N/N=C/c1cccc2ccccc12)C(=O)N1CCCC1.
What is the InChIKey of N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is FDXMQRNMJVMXBZ-LDADJPATSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(17(22)20-10-3-4-11-20)19-18-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,12H,3-4,10-11H2,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 295.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-naphthalen-1-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 5339194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).