N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine

C10H16N2 — CID 145155676

IUPACN-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine
SMILESC=C(C)/N=C/C(=C)C1CCCN1
InChIInChI=1S/C10H16N2/c1-8(2)12-7-9(3)10-5-4-6-11-10/h7,10-11H,1,3-6H2,2H3/b12-7+
InChIKeyQCOFZVULCWFRJH-KPKJPENVSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds3

About N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine

N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine (PubChem CID 145155676) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine
PubChem CID145155676
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine
SMILESC=C(C)/N=C/C(=C)C1CCCN1
InChIInChI=1S/C10H16N2/c1-8(2)12-7-9(3)10-5-4-6-11-10/h7,10-11H,1,3-6H2,2H3/b12-7+
InChIKeyQCOFZVULCWFRJH-KPKJPENVSA-N
XLogP1.90
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 ≤ 51.90
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-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine?
The IUPAC name of N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine (CID 145155676) is N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine.
What is the SMILES notation for N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine?
The canonical SMILES for N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine is C=C(C)/N=C/C(=C)C1CCCN1.
What is the InChIKey of N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine?
The InChIKey is QCOFZVULCWFRJH-KPKJPENVSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)12-7-9(3)10-5-4-6-11-10/h7,10-11H,1,3-6H2,2H3/b12-7+.
What are the key properties of N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine?
N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yl-2-pyrrolidin-2-ylprop-2-en-1-imine is sourced from PubChem (CID 145155676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).