N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide

C13H22N4O2 — CID 142365519

IUPACN'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CCCC1C=O)/C(N)=N/C=C\N
InChIInChI=1S/C13H22N4O2/c1-9(2)11(12(15)16-6-5-14)13(19)17-7-3-4-10(17)8-18/h5-6,8-11H,3-4,7,14H2,1-2H3,(H2,15,16)/b6-5-
InChIKeyYTIWNEPQYJQSJQ-WAYWQWQTSA-N
MW266.34 g/mol
LogP0.24
Rot. Bonds5

About N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide

N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide (PubChem CID 142365519) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide
PubChem CID142365519
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CCCC1C=O)/C(N)=N/C=C\N
InChIInChI=1S/C13H22N4O2/c1-9(2)11(12(15)16-6-5-14)13(19)17-7-3-4-10(17)8-18/h5-6,8-11H,3-4,7,14H2,1-2H3,(H2,15,16)/b6-5-
InChIKeyYTIWNEPQYJQSJQ-WAYWQWQTSA-N
XLogP0.24
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide 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

(2S)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carbaldehyde
CID 173434438
(2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 90727915
(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 91416761
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 77065272
S-[3-[(2S)-2-formylpyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate
CID 22814478
2-(2-ethylazepane-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 104691118
(2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbaldehyde
CID 173376381
1-[2-[[(Z)-2-amino-2-cyclohexylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbaldehyde
CID 171105326
(2S)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carbaldehyde
CID 173326830
methyl N-[(2S,3R)-1-(2-formylpyrrolidin-1-yl)-3-methoxy-1-oxobutan-2-yl]carbamate
CID 155093843
propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 143315084
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 102784278

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide?
The IUPAC name of N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide (CID 142365519) is N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide.
What is the SMILES notation for N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide?
The canonical SMILES for N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide is CC(C)C(C(=O)N1CCCC1C=O)/C(N)=N/C=C\N.
What is the InChIKey of N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide?
The InChIKey is YTIWNEPQYJQSJQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)11(12(15)16-6-5-14)13(19)17-7-3-4-10(17)8-18/h5-6,8-11H,3-4,7,14H2,1-2H3,(H2,15,16)/b6-5-.
What are the key properties of N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide?
N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide has a molecular weight of 266.34 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-aminoethenyl]-2-(2-formylpyrrolidine-1-carbonyl)-3-methylbutanimidamide is sourced from PubChem (CID 142365519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).