N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide

C10H19N3O2 — CID 77036233

IUPACN'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide
SMILESCCCCC(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C10H19N3O2/c1-2-3-6-9(14)13-7-4-5-8(13)10(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyWQCMCJGKXUNWSV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.91
Rot. Bonds4

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

N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide (PubChem CID 77036233) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide
PubChem CID77036233
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide
SMILESCCCCC(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C10H19N3O2/c1-2-3-6-9(14)13-7-4-5-8(13)10(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyWQCMCJGKXUNWSV-UHFFFAOYSA-N
XLogP0.91
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.91
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-propanoylpyrrolidine-2-carboximidamide
CID 77036368
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036265
N'-hydroxy-1-(2-methylhexanoyl)pyrrolidine-2-carboximidamide
CID 114246956
CID 160598111
CID 160598111
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide (CID 77036233) is N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide is CCCCC(=O)N1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide?
The InChIKey is WQCMCJGKXUNWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-3-6-9(14)13-7-4-5-8(13)10(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide?
N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide has a molecular weight of 213.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).