(4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine

C13H20N2 — CID 143843750

IUPAC(4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine
SMILESC=C(C)/N=C(\C=C/C)C(=C)N1CCCC1
InChIInChI=1S/C13H20N2/c1-5-8-13(14-11(2)3)12(4)15-9-6-7-10-15/h5,8H,2,4,6-7,9-10H2,1,3H3/b8-5-,14-13+
InChIKeyGATORIFJGPUWSS-FCBYNYORSA-N
MW204.32 g/mol
LogP3.15
Rot. Bonds4

About (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine

(4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine (PubChem CID 143843750) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine
PubChem CID143843750
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine
SMILESC=C(C)/N=C(\C=C/C)C(=C)N1CCCC1
InChIInChI=1S/C13H20N2/c1-5-8-13(14-11(2)3)12(4)15-9-6-7-10-15/h5,8H,2,4,6-7,9-10H2,1,3H3/b8-5-,14-13+
InChIKeyGATORIFJGPUWSS-FCBYNYORSA-N
XLogP3.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide
CID 54603244
(2Z)-1-methyl-2-[(2E,4E,6Z)-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)hepta-2,4,6-trienylidene]pyrrolidine
CID 89564508
6-Methyl-2-pyrrolidin-1-yl-2,3-dihydropyridine
CID 123364369
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
(Z)-2-ethenylimino-N,N-dimethylpent-3-en-1-amine
CID 132156024
(4Z)-1-tert-butyl-N-ethenyl-4-ethylidenepyrrolidin-3-imine
CID 132163049
(4Z)-N-ethenyl-4-ethylidene-1-methylpyrrolidin-3-imine
CID 132163051
(Z)-3-chloro-N-ethenyl-4-pyrrolidin-1-ylpent-3-en-2-imine
CID 132240182
2-methyl-6-pyrrolidin-1-yl-4H-azepine
CID 134406049
ethane;(2Z)-1-ethenyl-2-ethylidene-3,6-dimethylpyrazine;methane
CID 141771480
(Z)-N-ethyl-N-methyl-2-methyliminohex-3-en-1-amine
CID 145341950
[(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane
CID 153404291

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine?
The IUPAC name of (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine (CID 143843750) is (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine?
The canonical SMILES for (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine is C=C(C)/N=C(\C=C/C)C(=C)N1CCCC1.
What is the InChIKey of (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine?
The InChIKey is GATORIFJGPUWSS-FCBYNYORSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-8-13(14-11(2)3)12(4)15-9-6-7-10-15/h5,8H,2,4,6-7,9-10H2,1,3H3/b8-5-,14-13+.
What are the key properties of (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine?
(4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine has a molecular weight of 204.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-prop-1-en-2-yl-2-pyrrolidin-1-ylhexa-1,4-dien-3-imine is sourced from PubChem (CID 143843750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).