N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide

C6H13N3O2 — CID 62941516

IUPACN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
SMILESN/C(CN1CCC(O)C1)=N\O
InChIInChI=1S/C6H13N3O2/c7-6(8-11)4-9-2-1-5(10)3-9/h5,10-11H,1-4H2,(H2,7,8)
InChIKeyLSNVLZVPNUPNOR-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.20
Rot. Bonds2

About N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide

N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide (PubChem CID 62941516) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
PubChem CID62941516
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
SMILESN/C(CN1CCC(O)C1)=N\O
InChIInChI=1S/C6H13N3O2/c7-6(8-11)4-9-2-1-5(10)3-9/h5,10-11H,1-4H2,(H2,7,8)
InChIKeyLSNVLZVPNUPNOR-UHFFFAOYSA-N
XLogP-1.20
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.20
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

N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide
CID 62334817
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62941704
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62942068
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 62942069
2-(3-Hydroxypyrrolidin-1-yl)ethanimidamide
CID 62943188
3-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943378
2-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943760
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide
CID 76940077
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 76981271
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 76981272
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 76981279
N'-hydroxy-5-(3-hydroxypyrrolidin-1-yl)pentanimidamide
CID 76981300

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide (CID 62941516) is N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide is N/C(CN1CCC(O)C1)=N\O.
What is the InChIKey of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide?
The InChIKey is LSNVLZVPNUPNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-6(8-11)4-9-2-1-5(10)3-9/h5,10-11H,1-4H2,(H2,7,8).
What are the key properties of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide?
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide has a molecular weight of 159.19 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide is sourced from PubChem (CID 62941516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).