(4Z)-4-ethylidene-N-methylpyrrolidin-3-imine

C7H12N2 — CID 129194791

IUPAC(4Z)-4-ethylidene-N-methylpyrrolidin-3-imine
SMILESC/C=C1/CNC/C1=N\C
InChIInChI=1S/C7H12N2/c1-3-6-4-9-5-7(6)8-2/h3,9H,4-5H2,1-2H3/b6-3-,8-7+
InChIKeyALGZKUMAYVDZBL-NEEAAVDFSA-N
MW124.19 g/mol
LogP0.61
Rot. Bonds

About (4Z)-4-ethylidene-N-methylpyrrolidin-3-imine

(4Z)-4-ethylidene-N-methylpyrrolidin-3-imine (PubChem CID 129194791) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (4Z)-4-ethylidene-N-methylpyrrolidin-3-imine.

Molecular Properties

Compound Name(4Z)-4-ethylidene-N-methylpyrrolidin-3-imine
PubChem CID129194791
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(4Z)-4-ethylidene-N-methylpyrrolidin-3-imine
SMILESC/C=C1/CNC/C1=N\C
InChIInChI=1S/C7H12N2/c1-3-6-4-9-5-7(6)8-2/h3,9H,4-5H2,1-2H3/b6-3-,8-7+
InChIKeyALGZKUMAYVDZBL-NEEAAVDFSA-N
XLogP0.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-N-methylpyrrolidin-3-imine?
The IUPAC name of (4Z)-4-ethylidene-N-methylpyrrolidin-3-imine (CID 129194791) is (4Z)-4-ethylidene-N-methylpyrrolidin-3-imine.
What is the SMILES notation for (4Z)-4-ethylidene-N-methylpyrrolidin-3-imine?
The canonical SMILES for (4Z)-4-ethylidene-N-methylpyrrolidin-3-imine is C/C=C1/CNC/C1=N\C.
What is the InChIKey of (4Z)-4-ethylidene-N-methylpyrrolidin-3-imine?
The InChIKey is ALGZKUMAYVDZBL-NEEAAVDFSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-6-4-9-5-7(6)8-2/h3,9H,4-5H2,1-2H3/b6-3-,8-7+.
What are the key properties of (4Z)-4-ethylidene-N-methylpyrrolidin-3-imine?
(4Z)-4-ethylidene-N-methylpyrrolidin-3-imine has a molecular weight of 124.19 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-N-methylpyrrolidin-3-imine is sourced from PubChem (CID 129194791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).