4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide

C12H22N4O3 — CID 142087777

IUPAC4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide
SMILESCCCCCNC(=O)N1CC(=NOC)CC1C(N)=O
InChIInChI=1S/C12H22N4O3/c1-3-4-5-6-14-12(18)16-8-9(15-19-2)7-10(16)11(13)17/h10H,3-8H2,1-2H3,(H2,13,17)(H,14,18)
InChIKeyNWFPOQFXCCUNGN-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.45
Rot. Bonds6

About 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide

4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide (PubChem CID 142087777) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide
PubChem CID142087777
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide
SMILESCCCCCNC(=O)N1CC(=NOC)CC1C(N)=O
InChIInChI=1S/C12H22N4O3/c1-3-4-5-6-14-12(18)16-8-9(15-19-2)7-10(16)11(13)17/h10H,3-8H2,1-2H3,(H2,13,17)(H,14,18)
InChIKeyNWFPOQFXCCUNGN-UHFFFAOYSA-N
XLogP0.45
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide 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

2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide
CID 85054827
(2S)-4-methoxyimino-1-N-pentyl-2-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 131725423
(2S)-2-N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxyphenyl)methoxyimino]-1-N-pentylpyrrolidine-1,2-dicarboxamide
CID 131725440
(2S)-4-[(3,4-dichlorophenyl)methoxyimino]-2-N-(2-hydroxy-2-phenylethyl)-1-N-pentylpyrrolidine-1,2-dicarboxamide
CID 152761687
N-butyl-2-methylaziridine-1-carboxamide
CID 91621648
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
(2S)-N-benzyl-1-(2,2-diphenylacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 131725459
N,N-diethylethanamine;(2S)-4-methoxyimino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 158370583
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041
methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
CID 115536152
N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide
CID 67309310

Frequently Asked Questions

What is the IUPAC name of 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide (CID 142087777) is 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide is CCCCCNC(=O)N1CC(=NOC)CC1C(N)=O.
What is the InChIKey of 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide?
The InChIKey is NWFPOQFXCCUNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-3-4-5-6-14-12(18)16-8-9(15-19-2)7-10(16)11(13)17/h10H,3-8H2,1-2H3,(H2,13,17)(H,14,18).
What are the key properties of 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide?
4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide has a molecular weight of 270.33 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 142087777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).