N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine

C9H14N2 — CID 166796776

IUPACN-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine
SMILESC/C=N/C=C1/CCN/C1=C/C
InChIInChI=1S/C9H14N2/c1-3-9-8(5-6-11-9)7-10-4-2/h3-4,7,11H,5-6H2,1-2H3/b8-7-,9-3+,10-4+
InChIKeyKHLYMTOJDKPHPL-CPVXRSNFSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds1

About N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine

N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine (PubChem CID 166796776) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine
PubChem CID166796776
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine
SMILESC/C=N/C=C1/CCN/C1=C/C
InChIInChI=1S/C9H14N2/c1-3-9-8(5-6-11-9)7-10-4-2/h3-4,7,11H,5-6H2,1-2H3/b8-7-,9-3+,10-4+
InChIKeyKHLYMTOJDKPHPL-CPVXRSNFSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
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 N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine?
The IUPAC name of N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine (CID 166796776) is N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine.
What is the SMILES notation for N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine?
The canonical SMILES for N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine is C/C=N/C=C1/CCN/C1=C/C.
What is the InChIKey of N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine?
The InChIKey is KHLYMTOJDKPHPL-CPVXRSNFSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-9-8(5-6-11-9)7-10-4-2/h3-4,7,11H,5-6H2,1-2H3/b8-7-,9-3+,10-4+.
What are the key properties of N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine?
N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine is sourced from PubChem (CID 166796776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).