N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide

C9H19N3O2 — CID 61407766

IUPACN'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCCC1CO)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-7(9(10)11-14)5-12-4-2-3-8(12)6-13/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyWBYKBLFEISYODK-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.17
Rot. Bonds4

About N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide

N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide (PubChem CID 61407766) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
PubChem CID61407766
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCCC1CO)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-7(9(10)11-14)5-12-4-2-3-8(12)6-13/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyWBYKBLFEISYODK-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
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-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide (CID 61407766) is N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide is CC(CN1CCCC1CO)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
The InChIKey is WBYKBLFEISYODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(9(10)11-14)5-12-4-2-3-8(12)6-13/h7-8,13-14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 61407766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).