2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide

C9H19N3O3 — CID 121203940

IUPAC2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide
SMILESCCOC1CN(C/C(N)=N/O)CC1OC
InChIInChI=1S/C9H19N3O3/c1-3-15-8-5-12(4-7(8)14-2)6-9(10)11-13/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyKAZVINOBQVNXLQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.53
Rot. Bonds5

About 2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide

2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide (PubChem CID 121203940) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide
PubChem CID121203940
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide
SMILESCCOC1CN(C/C(N)=N/O)CC1OC
InChIInChI=1S/C9H19N3O3/c1-3-15-8-5-12(4-7(8)14-2)6-9(10)11-13/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyKAZVINOBQVNXLQ-UHFFFAOYSA-N
XLogP-0.53
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide (CID 121203940) is 2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide is CCOC1CN(C/C(N)=N/O)CC1OC.
What is the InChIKey of 2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is KAZVINOBQVNXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-15-8-5-12(4-7(8)14-2)6-9(10)11-13/h7-8,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide?
2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide has a molecular weight of 217.27 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 121203940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).