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

C8H17N3O2 — CID 103942753

IUPACN'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide
SMILESNC(CCN1CCC(CO)C1)=NO
InChIInChI=1S/C8H17N3O2/c9-8(10-13)2-4-11-3-1-7(5-11)6-12/h7,12-13H,1-6H2,(H2,9,10)
InChIKeyPCEHFLHOJGOCGM-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.56
Rot. Bonds4

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

N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide (PubChem CID 103942753) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide
PubChem CID103942753
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide
SMILESNC(CCN1CCC(CO)C1)=NO
InChIInChI=1S/C8H17N3O2/c9-8(10-13)2-4-11-3-1-7(5-11)6-12/h7,12-13H,1-6H2,(H2,9,10)
InChIKeyPCEHFLHOJGOCGM-UHFFFAOYSA-N
XLogP-0.56
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.56
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103369889
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103370812
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 113808051
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 61556919
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62941707
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910387
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
N'-hydroxy-2-methyl-3-[methyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76910885
N'-hydroxy-3-[2-methylpropyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76917303
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 76981282
N'-hydroxy-3-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 77048331
N'-hydroxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 77048350

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide (CID 103942753) is N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide is NC(CCN1CCC(CO)C1)=NO.
What is the InChIKey of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide?
The InChIKey is PCEHFLHOJGOCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-8(10-13)2-4-11-3-1-7(5-11)6-12/h7,12-13H,1-6H2,(H2,9,10).
What are the key properties of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide?
N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.56, 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-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide is sourced from PubChem (CID 103942753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).