(1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H21Cl2NO4 — CID 2018164

About (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2018164) has the molecular formula C24H21Cl2NO4 and a molecular weight of 458.34 g/mol. Its IUPAC name is (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 2018164
• Molecular Formula: C24H21Cl2NO4
• Molecular Weight: 458.34 g/mol
• Exact Mass: 457.08
• IUPAC Name: (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)c(Cl)c1)N(C[C@@H]1CCCO1)C3=O
• InChI: InChI=1S/C24H21Cl2NO4/c1-12-8-16-19(9-13(12)2)31-23-20(22(16)28)21(14-5-6-17(25)18(26)10-14)27(24(23)29)11-15-4-3-7-30-15/h5-6,8-10,15,21H,3-4,7,11H2,1-2H3/t15-,21+/m0/s1
• InChIKey: IFDLMBCFZGQDQG-YCRPNKLZSA-N
• XLogP: 5.44
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.34
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2018164) is (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)c(Cl)c1)N(C[C@@H]1CCCO1)C3=O.

What is the InChIKey of (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is IFDLMBCFZGQDQG-YCRPNKLZSA-N. The full InChI is InChI=1S/C24H21Cl2NO4/c1-12-8-16-19(9-13(12)2)31-23-20(22(16)28)21(14-5-6-17(25)18(26)10-14)27(24(23)29)11-15-4-3-7-30-15/h5-6,8-10,15,21H,3-4,7,11H2,1-2H3/t15-,21+/m0/s1.

What are the key properties of (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 458.34 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2018164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).