(4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine

C7H15N3O — CID 88565212

IUPAC(4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine
SMILESCCN1C/C(=N\OC)C(N)C1
InChIInChI=1S/C7H15N3O/c1-3-10-4-6(8)7(5-10)9-11-2/h6H,3-5,8H2,1-2H3/b9-7+
InChIKeyBGZMJFSRGLOWGW-VQHVLOKHSA-N
MW157.22 g/mol
LogP-0.35
Rot. Bonds2

About (4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine

(4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine (PubChem CID 88565212) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine.

Molecular Properties

Compound Name(4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine
PubChem CID88565212
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine
SMILESCCN1C/C(=N\OC)C(N)C1
InChIInChI=1S/C7H15N3O/c1-3-10-4-6(8)7(5-10)9-11-2/h6H,3-5,8H2,1-2H3/b9-7+
InChIKeyBGZMJFSRGLOWGW-VQHVLOKHSA-N
XLogP-0.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
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)-1-ethyl-4-methoxyiminopyrrolidin-3-amine?
The IUPAC name of (4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine (CID 88565212) is (4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine.
What is the SMILES notation for (4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine?
The canonical SMILES for (4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine is CCN1C/C(=N\OC)C(N)C1.
What is the InChIKey of (4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine?
The InChIKey is BGZMJFSRGLOWGW-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-10-4-6(8)7(5-10)9-11-2/h6H,3-5,8H2,1-2H3/b9-7+.
What are the key properties of (4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine?
(4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine has a molecular weight of 157.22 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine is sourced from PubChem (CID 88565212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).