N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide

C9H19N3O2 — CID 76981281

IUPACN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
SMILESCCC(CC(N)=NO)N1CCC(O)C1
InChIInChI=1S/C9H19N3O2/c1-2-7(5-9(10)11-14)12-4-3-8(13)6-12/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyZXYXLIIDQNWSAJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.03
Rot. Bonds4

About N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide

N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide (PubChem CID 76981281) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
PubChem CID76981281
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
SMILESCCC(CC(N)=NO)N1CCC(O)C1
InChIInChI=1S/C9H19N3O2/c1-2-7(5-9(10)11-14)12-4-3-8(13)6-12/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyZXYXLIIDQNWSAJ-UHFFFAOYSA-N
XLogP-0.03
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide (CID 76981281) is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide is CCC(CC(N)=NO)N1CCC(O)C1.
What is the InChIKey of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide?
The InChIKey is ZXYXLIIDQNWSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-7(5-9(10)11-14)12-4-3-8(13)6-12/h7-8,13-14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide?
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide is sourced from PubChem (CID 76981281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).