3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine

C11H20N2 — CID 174576023

IUPAC3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine
SMILES[H]/N=C(\C)C(C=CN1CCCC1)CC
InChIInChI=1S/C11H20N2/c1-3-11(10(2)12)6-9-13-7-4-5-8-13/h6,9,11-12H,3-5,7-8H2,1-2H3/b9-6?,12-10+
InChIKeyWPKJHYROUPUKLJ-GEKSPHCTSA-N
MW180.29 g/mol
LogP2.66
Rot. Bonds4

About 3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine

3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine (PubChem CID 174576023) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine.

Molecular Properties

Compound Name3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine
PubChem CID174576023
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine
SMILES[H]/N=C(\C)C(C=CN1CCCC1)CC
InChIInChI=1S/C11H20N2/c1-3-11(10(2)12)6-9-13-7-4-5-8-13/h6,9,11-12H,3-5,7-8H2,1-2H3/b9-6?,12-10+
InChIKeyWPKJHYROUPUKLJ-GEKSPHCTSA-N
XLogP2.66
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.66
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 3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine?
The IUPAC name of 3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine (CID 174576023) is 3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine.
What is the SMILES notation for 3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine?
The canonical SMILES for 3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine is [H]/N=C(\C)C(C=CN1CCCC1)CC.
What is the InChIKey of 3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine?
The InChIKey is WPKJHYROUPUKLJ-GEKSPHCTSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-11(10(2)12)6-9-13-7-4-5-8-13/h6,9,11-12H,3-5,7-8H2,1-2H3/b9-6?,12-10+.
What are the key properties of 3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine?
3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine has a molecular weight of 180.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine is sourced from PubChem (CID 174576023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).