[(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium

C6H15N3O+2 — CID 6032297

IUPAC[(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium
SMILESCO/N=C1\C[NH2+]CC1C[NH3+]
InChIInChI=1S/C6H13N3O/c1-10-9-6-4-8-3-5(6)2-7/h5,8H,2-4,7H2,1H3/p+2/b9-6+
InChIKeyYZBFISOEIGOFAF-RMKNXTFCSA-P
MW145.21 g/mol
LogP-2.58
Rot. Bonds2

About [(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium

[(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium (PubChem CID 6032297) has the molecular formula C6H15N3O+2 and a molecular weight of 145.21 g/mol. Its IUPAC name is [(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium.

Molecular Properties

Compound Name[(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium
PubChem CID6032297
Molecular FormulaC6H15N3O+2
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name[(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium
SMILESCO/N=C1\C[NH2+]CC1C[NH3+]
InChIInChI=1S/C6H13N3O/c1-10-9-6-4-8-3-5(6)2-7/h5,8H,2-4,7H2,1H3/p+2/b9-6+
InChIKeyYZBFISOEIGOFAF-RMKNXTFCSA-P
XLogP-2.58
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-2.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium?
The IUPAC name of [(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium (CID 6032297) is [(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium.
What is the SMILES notation for [(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium?
The canonical SMILES for [(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium is CO/N=C1\C[NH2+]CC1C[NH3+].
What is the InChIKey of [(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium?
The InChIKey is YZBFISOEIGOFAF-RMKNXTFCSA-P. The full InChI is InChI=1S/C6H13N3O/c1-10-9-6-4-8-3-5(6)2-7/h5,8H,2-4,7H2,1H3/p+2/b9-6+.
What are the key properties of [(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium?
[(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium has a molecular weight of 145.21 g/mol, XLogP of -2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium is sourced from PubChem (CID 6032297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).