(Z)-4-ethyl-N-methoxypyrrolidin-3-imine

C7H14N2O — CID 59971456

IUPAC(Z)-4-ethyl-N-methoxypyrrolidin-3-imine
SMILESCCC1CNC/C1=N\OC
InChIInChI=1S/C7H14N2O/c1-3-6-4-8-5-7(6)9-10-2/h6,8H,3-5H2,1-2H3/b9-7+
InChIKeyDRWFHWRMPIVIOJ-VQHVLOKHSA-N
MW142.20 g/mol
LogP0.62
Rot. Bonds2

About (Z)-4-ethyl-N-methoxypyrrolidin-3-imine

(Z)-4-ethyl-N-methoxypyrrolidin-3-imine (PubChem CID 59971456) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (Z)-4-ethyl-N-methoxypyrrolidin-3-imine.

Molecular Properties

Compound Name(Z)-4-ethyl-N-methoxypyrrolidin-3-imine
PubChem CID59971456
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(Z)-4-ethyl-N-methoxypyrrolidin-3-imine
SMILESCCC1CNC/C1=N\OC
InChIInChI=1S/C7H14N2O/c1-3-6-4-8-5-7(6)9-10-2/h6,8H,3-5H2,1-2H3/b9-7+
InChIKeyDRWFHWRMPIVIOJ-VQHVLOKHSA-N
XLogP0.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-4-ethyl-N-methoxypyrrolidin-3-imine?
The IUPAC name of (Z)-4-ethyl-N-methoxypyrrolidin-3-imine (CID 59971456) is (Z)-4-ethyl-N-methoxypyrrolidin-3-imine.
What is the SMILES notation for (Z)-4-ethyl-N-methoxypyrrolidin-3-imine?
The canonical SMILES for (Z)-4-ethyl-N-methoxypyrrolidin-3-imine is CCC1CNC/C1=N\OC.
What is the InChIKey of (Z)-4-ethyl-N-methoxypyrrolidin-3-imine?
The InChIKey is DRWFHWRMPIVIOJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-6-4-8-5-7(6)9-10-2/h6,8H,3-5H2,1-2H3/b9-7+.
What are the key properties of (Z)-4-ethyl-N-methoxypyrrolidin-3-imine?
(Z)-4-ethyl-N-methoxypyrrolidin-3-imine has a molecular weight of 142.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-N-methoxypyrrolidin-3-imine is sourced from PubChem (CID 59971456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).