2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H19N3O5 — CID 3761601

IUPAC2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N3O5/c1-22(2)11-12-23-18(13-7-9-14(10-8-13)24(27)28)17-19(25)15-5-3-4-6-16(15)29-20(17)21(23)26/h3-10,18H,11-12H2,1-2H3
InChIKeyYZJIOKSEJNBFGY-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3761601) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3761601
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N3O5/c1-22(2)11-12-23-18(13-7-9-14(10-8-13)24(27)28)17-19(25)15-5-3-4-6-16(15)29-20(17)21(23)26/h3-10,18H,11-12H2,1-2H3
InChIKeyYZJIOKSEJNBFGY-UHFFFAOYSA-N
XLogP2.81
TPSA96.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3761601) is 2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YZJIOKSEJNBFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-22(2)11-12-23-18(13-7-9-14(10-8-13)24(27)28)17-19(25)15-5-3-4-6-16(15)29-20(17)21(23)26/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 393.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3761601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).