1-(2-iminoethanimidoyl)pyrrolidin-3-ol

C6H11N3O — CID 170743564

IUPAC1-(2-iminoethanimidoyl)pyrrolidin-3-ol
SMILES[H]/N=C/C(=N\[H])N1CCC(O)C1
InChIInChI=1S/C6H11N3O/c7-3-6(8)9-2-1-5(10)4-9/h3,5,7-8,10H,1-2,4H2/b7-3+,8-6+
InChIKeyFODWZAGGCASMKR-ABHPZVFCSA-N
MW141.17 g/mol
LogP-0.32
Rot. Bonds1

About 1-(2-iminoethanimidoyl)pyrrolidin-3-ol

1-(2-iminoethanimidoyl)pyrrolidin-3-ol (PubChem CID 170743564) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(2-iminoethanimidoyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-iminoethanimidoyl)pyrrolidin-3-ol
PubChem CID170743564
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-(2-iminoethanimidoyl)pyrrolidin-3-ol
SMILES[H]/N=C/C(=N\[H])N1CCC(O)C1
InChIInChI=1S/C6H11N3O/c7-3-6(8)9-2-1-5(10)4-9/h3,5,7-8,10H,1-2,4H2/b7-3+,8-6+
InChIKeyFODWZAGGCASMKR-ABHPZVFCSA-N
XLogP-0.32
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.32
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
3-hydroxy-1-Pyrrolidinecarboximidamide
CID 18435488
2-Imino-2-pyrrolidin-1-ylethanol
CID 21646843
(R)-1-(1-Iminoethyl)pyrrolidin-3-ol
CID 71355673
(3R)-3-hydroxypyrrolidine-1-carboximidoyl iodide
CID 129049454
Ethane;1-ethanimidoylpyrrolidin-3-ol
CID 145296457
1-Butanimidoylpyrrolidin-3-ol
CID 163544855
2-(2-Iminopyrrolidin-1-yl)ethanol
CID 54533091
2-(3-Hydroxypyrrolidin-1-yl)ethanimidamide
CID 62943188
4-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943376
3-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943378
(3R)-3-hydroxypyrrolidine-1-carboximidamide
CID 86341400

Frequently Asked Questions

What is the IUPAC name of 1-(2-iminoethanimidoyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-iminoethanimidoyl)pyrrolidin-3-ol (CID 170743564) is 1-(2-iminoethanimidoyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-iminoethanimidoyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-iminoethanimidoyl)pyrrolidin-3-ol is [H]/N=C/C(=N\[H])N1CCC(O)C1.
What is the InChIKey of 1-(2-iminoethanimidoyl)pyrrolidin-3-ol?
The InChIKey is FODWZAGGCASMKR-ABHPZVFCSA-N. The full InChI is InChI=1S/C6H11N3O/c7-3-6(8)9-2-1-5(10)4-9/h3,5,7-8,10H,1-2,4H2/b7-3+,8-6+.
What are the key properties of 1-(2-iminoethanimidoyl)pyrrolidin-3-ol?
1-(2-iminoethanimidoyl)pyrrolidin-3-ol has a molecular weight of 141.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iminoethanimidoyl)pyrrolidin-3-ol is sourced from PubChem (CID 170743564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).