6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C23H21Cl2NO3 — CID 108750309

About 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108750309) has the molecular formula C23H21Cl2NO3 and a molecular weight of 430.33 g/mol. Its IUPAC name is 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
• PubChem CID: 108750309
• Molecular Formula: C23H21Cl2NO3
• Molecular Weight: 430.33 g/mol
• Exact Mass: 429.09
• IUPAC Name: 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
• SMILES: Cc1cc(Cl)cc2c1OC1(CCN(C(=O)/C=C/c3cccc(Cl)c3)CC1)CC2=O
• InChI: InChI=1S/C23H21Cl2NO3/c1-15-11-18(25)13-19-20(27)14-23(29-22(15)19)7-9-26(10-8-23)21(28)6-5-16-3-2-4-17(24)12-16/h2-6,11-13H,7-10,14H2,1H3/b6-5+
• InChIKey: UARIILZEUWBCSJ-AATRIKPKSA-N
• XLogP: 5.34
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.33
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?

The IUPAC name of 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108750309) is 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

What is the SMILES notation for 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?

The canonical SMILES for 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(Cl)cc2c1OC1(CCN(C(=O)/C=C/c3cccc(Cl)c3)CC1)CC2=O.

What is the InChIKey of 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?

The InChIKey is UARIILZEUWBCSJ-AATRIKPKSA-N. The full InChI is InChI=1S/C23H21Cl2NO3/c1-15-11-18(25)13-19-20(27)14-23(29-22(15)19)7-9-26(10-8-23)21(28)6-5-16-3-2-4-17(24)12-16/h2-6,11-13H,7-10,14H2,1H3/b6-5+.

What are the key properties of 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?

6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 430.33 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108750309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).