(2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine

C10H16N2 — CID 142976854

IUPAC(2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C=N\C)C1CCNC1
InChIInChI=1S/C10H16N2/c1-3-9(4-6-11-2)10-5-7-12-8-10/h3-4,6,10,12H,1,5,7-8H2,2H3/b9-4+,11-6+
InChIKeySLXYNFVJGLPTBG-WOARVNPXSA-N
MW164.25 g/mol
LogP1.41
Rot. Bonds3

About (2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine

(2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine (PubChem CID 142976854) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine
PubChem CID142976854
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C=N\C)C1CCNC1
InChIInChI=1S/C10H16N2/c1-3-9(4-6-11-2)10-5-7-12-8-10/h3-4,6,10,12H,1,5,7-8H2,2H3/b9-4+,11-6+
InChIKeySLXYNFVJGLPTBG-WOARVNPXSA-N
XLogP1.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine (CID 142976854) is (2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine is C=C/C(=C\C=N\C)C1CCNC1.
What is the InChIKey of (2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine?
The InChIKey is SLXYNFVJGLPTBG-WOARVNPXSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-9(4-6-11-2)10-5-7-12-8-10/h3-4,6,10,12H,1,5,7-8H2,2H3/b9-4+,11-6+.
What are the key properties of (2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine?
(2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine has a molecular weight of 164.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine is sourced from PubChem (CID 142976854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).