2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H22ClNO3 — CID 19108817

About 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19108817) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19108817
• Molecular Formula: C23H22ClNO3
• Molecular Weight: 395.89 g/mol
• Exact Mass: 395.13
• IUPAC Name: 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1cccc(Cl)c1
• InChI: InChI=1S/C23H22ClNO3/c1-4-5-9-25-20(15-7-6-8-16(24)12-15)19-21(26)18-14(3)10-13(2)11-17(18)28-22(19)23(25)27/h6-8,10-12,20H,4-5,9H2,1-3H3
• InChIKey: HBIHMFZMYCEJKC-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.89
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19108817) is 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1cccc(Cl)c1.

What is the InChIKey of 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is HBIHMFZMYCEJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3/c1-4-5-9-25-20(15-7-6-8-16(24)12-15)19-21(26)18-14(3)10-13(2)11-17(18)28-22(19)23(25)27/h6-8,10-12,20H,4-5,9H2,1-3H3.

What are the key properties of 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 395.89 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19108817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).