1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C19H21NO4 — CID 108746393

IUPAC1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESC/C=C/C=C/C(=O)N1CCC2(CC(=O)c3cc(OC)ccc3O2)C1
InChIInChI=1S/C19H21NO4/c1-3-4-5-6-18(22)20-10-9-19(13-20)12-16(21)15-11-14(23-2)7-8-17(15)24-19/h3-8,11H,9-10,12-13H2,1-2H3/b4-3+,6-5+
InChIKeyQASWVTOYDLRPDZ-VNKDHWASSA-N
MW327.38 g/mol
LogP2.76
Rot. Bonds3

About 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 108746393) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID108746393
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESC/C=C/C=C/C(=O)N1CCC2(CC(=O)c3cc(OC)ccc3O2)C1
InChIInChI=1S/C19H21NO4/c1-3-4-5-6-18(22)20-10-9-19(13-20)12-16(21)15-11-14(23-2)7-8-17(15)24-19/h3-8,11H,9-10,12-13H2,1-2H3/b4-3+,6-5+
InChIKeyQASWVTOYDLRPDZ-VNKDHWASSA-N
XLogP2.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one 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)-3-(2-chlorophenyl)prop-2-enoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768690
6-methoxy-1'-(2,2,2-trifluoroacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768625
1'-(2-chloropropanoyl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746453
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758778
6-methoxy-1'-(2-methoxybenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768631
1'-[4-(dimethylamino)benzoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746423
6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746498
1'-(5-chloro-2-methoxybenzoyl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768681
6-methoxy-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746369
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
6-methoxy-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746381

Frequently Asked Questions

What is the IUPAC name of 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 108746393) is 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one is C/C=C/C=C/C(=O)N1CCC2(CC(=O)c3cc(OC)ccc3O2)C1.
What is the InChIKey of 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is QASWVTOYDLRPDZ-VNKDHWASSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-4-5-6-18(22)20-10-9-19(13-20)12-16(21)15-11-14(23-2)7-8-17(15)24-19/h3-8,11H,9-10,12-13H2,1-2H3/b4-3+,6-5+.
What are the key properties of 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 327.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 108746393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).