3-methoxypyrrolidine-1-carboximidamide

C6H13N3O — CID 103534603

IUPAC3-methoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(OC)C1
InChIInChI=1S/C6H13N3O/c1-10-5-2-3-9(4-5)6(7)8/h5H,2-4H2,1H3,(H3,7,8)
InChIKeyNLXVVYPBHNPKSN-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.40
Rot. Bonds1

About 3-methoxypyrrolidine-1-carboximidamide

3-methoxypyrrolidine-1-carboximidamide (PubChem CID 103534603) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxypyrrolidine-1-carboximidamide
PubChem CID103534603
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-methoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(OC)C1
InChIInChI=1S/C6H13N3O/c1-10-5-2-3-9(4-5)6(7)8/h5H,2-4H2,1H3,(H3,7,8)
InChIKeyNLXVVYPBHNPKSN-UHFFFAOYSA-N
XLogP-0.40
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of 3-methoxypyrrolidine-1-carboximidamide (CID 103534603) is 3-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for 3-methoxypyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCC(OC)C1.
What is the InChIKey of 3-methoxypyrrolidine-1-carboximidamide?
The InChIKey is NLXVVYPBHNPKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-10-5-2-3-9(4-5)6(7)8/h5H,2-4H2,1H3,(H3,7,8).
What are the key properties of 3-methoxypyrrolidine-1-carboximidamide?
3-methoxypyrrolidine-1-carboximidamide has a molecular weight of 143.19 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).