N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide

C8H15N3O2 — CID 77036368

IUPACN'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
SMILESCCC(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C8H15N3O2/c1-2-7(12)11-5-3-4-6(11)8(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyYOEIECUMCWMNAF-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.13
Rot. Bonds2

About N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide

N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide (PubChem CID 77036368) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
PubChem CID77036368
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
SMILESCCC(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C8H15N3O2/c1-2-7(12)11-5-3-4-6(11)8(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyYOEIECUMCWMNAF-UHFFFAOYSA-N
XLogP0.13
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide
CID 77036233
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476
N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036265
1-propanoylpiperidine-2-carboxamide
CID 60717244
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493
N'-hydroxy-1-(3,4,4-trimethylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036440
N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide
CID 77041611
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide
CID 77036177

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide (CID 77036368) is N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide is CCC(=O)N1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide?
The InChIKey is YOEIECUMCWMNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-7(12)11-5-3-4-6(11)8(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide?
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide has a molecular weight of 185.23 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).