2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide

C7H15N3O — CID 131007312

IUPAC2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CC(C)C(O)C1
InChIInChI=1S/C7H15N3O/c1-5-2-10(3-6(5)11)4-7(8)9/h5-6,11H,2-4H2,1H3,(H3,8,9)
InChIKeyGDJBFFGWILIRFR-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.77
Rot. Bonds2

About 2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide

2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide (PubChem CID 131007312) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide
PubChem CID131007312
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CC(C)C(O)C1
InChIInChI=1S/C7H15N3O/c1-5-2-10(3-6(5)11)4-7(8)9/h5-6,11H,2-4H2,1H3,(H3,8,9)
InChIKeyGDJBFFGWILIRFR-UHFFFAOYSA-N
XLogP-0.77
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Ethanimidoylpyrrolidin-3-ol
CID 17919898
(3S,4S)-5-amino-2-imino-1,4-dimethylpyrrolidin-3-ol
CID 57172780
(R)-1-(1-Iminoethyl)pyrrolidin-3-ol
CID 71355673
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 62941516
2-(3-Hydroxypyrrolidin-1-yl)ethanimidamide
CID 62943188
3-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943378
3-(3-Hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
2-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943760
2-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943949
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 76981271
2-(3-Hydroxy-3-methylpyrrolidin-1-yl)ethanimidamide
CID 103356381
2-(3,4-Dihydroxypyrrolidin-1-yl)ethanimidamide
CID 106669803

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide?
The IUPAC name of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide (CID 131007312) is 2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide.
What is the SMILES notation for 2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide?
The canonical SMILES for 2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide is [H]/N=C(\N)CN1CC(C)C(O)C1.
What is the InChIKey of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide?
The InChIKey is GDJBFFGWILIRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5-2-10(3-6(5)11)4-7(8)9/h5-6,11H,2-4H2,1H3,(H3,8,9).
What are the key properties of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide?
2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide has a molecular weight of 157.22 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanimidamide is sourced from PubChem (CID 131007312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).