(1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H26N2O4 — CID 27308879

About (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27308879) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 27308879
• Molecular Formula: C24H26N2O4
• Molecular Weight: 406.48 g/mol
• Exact Mass: 406.19
• IUPAC Name: (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N(CCCN(C)C)C3=O
• InChI: InChI=1S/C24H26N2O4/c1-14-11-18-19(12-15(14)2)30-23-20(22(18)28)21(16-7-5-8-17(27)13-16)26(24(23)29)10-6-9-25(3)4/h5,7-8,11-13,21,27H,6,9-10H2,1-4H3/t21-/m0/s1
• InChIKey: YRKBBNSIMMLVSP-NRFANRHFSA-N
• XLogP: 3.61
• TPSA: 73.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.48
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27308879) is (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N(CCCN(C)C)C3=O.

What is the InChIKey of (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is YRKBBNSIMMLVSP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-14-11-18-19(12-15(14)2)30-23-20(22(18)28)21(16-7-5-8-17(27)13-16)26(24(23)29)10-6-9-25(3)4/h5,7-8,11-13,21,27H,6,9-10H2,1-4H3/t21-/m0/s1.

What are the key properties of (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 406.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27308879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).