3,4-dimethoxypyrrolidine-1-carboximidamide

C7H15N3O2 — CID 103534615

IUPAC3,4-dimethoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(OC)C(OC)C1
InChIInChI=1S/C7H15N3O2/c1-11-5-3-10(7(8)9)4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H3,8,9)
InChIKeyCOJYMFHTBBAMDF-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.77
Rot. Bonds2

About 3,4-dimethoxypyrrolidine-1-carboximidamide

3,4-dimethoxypyrrolidine-1-carboximidamide (PubChem CID 103534615) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3,4-dimethoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3,4-dimethoxypyrrolidine-1-carboximidamide
PubChem CID103534615
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name3,4-dimethoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(OC)C(OC)C1
InChIInChI=1S/C7H15N3O2/c1-11-5-3-10(7(8)9)4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H3,8,9)
InChIKeyCOJYMFHTBBAMDF-UHFFFAOYSA-N
XLogP-0.77
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxypyrrolidine-1-carboximidamide?
The IUPAC name of 3,4-dimethoxypyrrolidine-1-carboximidamide (CID 103534615) is 3,4-dimethoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for 3,4-dimethoxypyrrolidine-1-carboximidamide?
The canonical SMILES for 3,4-dimethoxypyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CC(OC)C(OC)C1.
What is the InChIKey of 3,4-dimethoxypyrrolidine-1-carboximidamide?
The InChIKey is COJYMFHTBBAMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-11-5-3-10(7(8)9)4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H3,8,9).
What are the key properties of 3,4-dimethoxypyrrolidine-1-carboximidamide?
3,4-dimethoxypyrrolidine-1-carboximidamide has a molecular weight of 173.22 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).