[(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine

C6H13N3O — CID 6032298

IUPAC[(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine
SMILESCO/N=C1/CNCC1CN
InChIInChI=1S/C6H13N3O/c1-10-9-6-4-8-3-5(6)2-7/h5,8H,2-4,7H2,1H3/b9-6-
InChIKeyYZBFISOEIGOFAF-TWGQIWQCSA-N
MW143.19 g/mol
LogP-0.83
Rot. Bonds2

About [(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine

[(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine (PubChem CID 6032298) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is [(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine
PubChem CID6032298
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name[(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine
SMILESCO/N=C1/CNCC1CN
InChIInChI=1S/C6H13N3O/c1-10-9-6-4-8-3-5(6)2-7/h5,8H,2-4,7H2,1H3/b9-6-
InChIKeyYZBFISOEIGOFAF-TWGQIWQCSA-N
XLogP-0.83
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 [(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine?
The IUPAC name of [(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine (CID 6032298) is [(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine?
The canonical SMILES for [(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine is CO/N=C1/CNCC1CN.
What is the InChIKey of [(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine?
The InChIKey is YZBFISOEIGOFAF-TWGQIWQCSA-N. The full InChI is InChI=1S/C6H13N3O/c1-10-9-6-4-8-3-5(6)2-7/h5,8H,2-4,7H2,1H3/b9-6-.
What are the key properties of [(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine?
[(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine has a molecular weight of 143.19 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine is sourced from PubChem (CID 6032298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).