(Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one

C20H24ClN3O — CID 142841853

IUPAC(Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one
SMILESC=N/C(C)=C\C(=C/C)C(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C20H24ClN3O/c1-4-15(11-14(2)22-3)19(25)24-13-20(7-9-23-10-8-20)17-12-16(21)5-6-18(17)24/h4-6,11-12,23H,3,7-10,13H2,1-2H3/b14-11-,15-4+
InChIKeyFUMIJSMTOACARU-XLJDZNPXSA-N
MW357.89 g/mol
LogP3.86
Rot. Bonds3

About (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one

(Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one (PubChem CID 142841853) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one.

Molecular Properties

Compound Name(Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one
PubChem CID142841853
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name(Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one
SMILESC=N/C(C)=C\C(=C/C)C(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C20H24ClN3O/c1-4-15(11-14(2)22-3)19(25)24-13-20(7-9-23-10-8-20)17-12-16(21)5-6-18(17)24/h4-6,11-12,23H,3,7-10,13H2,1-2H3/b14-11-,15-4+
InChIKeyFUMIJSMTOACARU-XLJDZNPXSA-N
XLogP3.86
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one?
The IUPAC name of (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one (CID 142841853) is (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one.
What is the SMILES notation for (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one?
The canonical SMILES for (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one is C=N/C(C)=C\C(=C/C)C(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one?
The InChIKey is FUMIJSMTOACARU-XLJDZNPXSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-4-15(11-14(2)22-3)19(25)24-13-20(7-9-23-10-8-20)17-12-16(21)5-6-18(17)24/h4-6,11-12,23H,3,7-10,13H2,1-2H3/b14-11-,15-4+.
What are the key properties of (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one?
(Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one has a molecular weight of 357.89 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-1-(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-2-ethylidene-4-(methylideneamino)pent-3-en-1-one is sourced from PubChem (CID 142841853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).