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

C7H15N3O2 — CID 103356315

IUPACN'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide
SMILESCC1(O)CCN(CC(N)=NO)C1
InChIInChI=1S/C7H15N3O2/c1-7(11)2-3-10(5-7)4-6(8)9-12/h11-12H,2-5H2,1H3,(H2,8,9)
InChIKeyDPDKANZABFQPSI-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.81
Rot. Bonds2

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

N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide (PubChem CID 103356315) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide
PubChem CID103356315
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide
SMILESCC1(O)CCN(CC(N)=NO)C1
InChIInChI=1S/C7H15N3O2/c1-7(11)2-3-10(5-7)4-6(8)9-12/h11-12H,2-5H2,1H3,(H2,8,9)
InChIKeyDPDKANZABFQPSI-UHFFFAOYSA-N
XLogP-0.81
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.81
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

(Z)-N'-hydroxy-2-(3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl)acetimidamide
CID 121203250
N'-hydroxy-2-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide
CID 129353751
N'-hydroxy-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanimidamide
CID 129353752
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 62941516
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 76981271
N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]ethanimidamide
CID 77056353
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
CID 103356307
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide
CID 103356312
N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356313
N'-hydroxy-5-(3-hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
CID 103356316
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356319
N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
CID 103356324

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide (CID 103356315) is N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide is CC1(O)CCN(CC(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide?
The InChIKey is DPDKANZABFQPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-7(11)2-3-10(5-7)4-6(8)9-12/h11-12H,2-5H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide?
N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide has a molecular weight of 173.22 g/mol, XLogP of -0.81, 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-hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide is sourced from PubChem (CID 103356315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).