2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium

C23H25N2O3+ — CID 2014152

About 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium

2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium (PubChem CID 2014152) has the molecular formula C23H25N2O3+ and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium.

Molecular Properties

• Compound Name: 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium
• PubChem CID: 2014152
• Molecular Formula: C23H25N2O3+
• Molecular Weight: 377.46 g/mol
• Exact Mass: 377.19
• IUPAC Name: 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium
• SMILES: CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1
• InChI: InChI=1S/C23H24N2O3/c1-3-24(4-2)14-15-25-20(16-10-6-5-7-11-16)19-21(26)17-12-8-9-13-18(17)28-22(19)23(25)27/h5-13,20H,3-4,14-15H2,1-2H3/p+1/t20-/m0/s1
• InChIKey: LZIGMMFJFOMEJF-FQEVSTJZSA-O
• XLogP: 2.26
• TPSA: 54.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.46
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium?

The IUPAC name of 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium (CID 2014152) is 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium.

What is the SMILES notation for 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium?

The canonical SMILES for 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium is CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1.

What is the InChIKey of 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium?

The InChIKey is LZIGMMFJFOMEJF-FQEVSTJZSA-O. The full InChI is InChI=1S/C23H24N2O3/c1-3-24(4-2)14-15-25-20(16-10-6-5-7-11-16)19-21(26)17-12-8-9-13-18(17)28-22(19)23(25)27/h5-13,20H,3-4,14-15H2,1-2H3/p+1/t20-/m0/s1.

What are the key properties of 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium?

2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium has a molecular weight of 377.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium is sourced from PubChem (CID 2014152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).