2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione

C19H19N3O3 — CID 6481890

IUPAC2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCN1C(=O)c2ccc3c(c2C1=O)c1cc(O)ccc1n3C
InChIInChI=1S/C19H19N3O3/c1-20(2)8-9-22-18(24)12-5-7-15-16(17(12)19(22)25)13-10-11(23)4-6-14(13)21(15)3/h4-7,10,23H,8-9H2,1-3H3
InChIKeyGAHVCFYAQAESBP-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.19
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione

2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 6481890) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID6481890
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCN1C(=O)c2ccc3c(c2C1=O)c1cc(O)ccc1n3C
InChIInChI=1S/C19H19N3O3/c1-20(2)8-9-22-18(24)12-5-7-15-16(17(12)19(22)25)13-10-11(23)4-6-14(13)21(15)3/h4-7,10,23H,8-9H2,1-3H3
InChIKeyGAHVCFYAQAESBP-UHFFFAOYSA-N
XLogP2.19
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione (CID 6481890) is 2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione is CN(C)CCN1C(=O)c2ccc3c(c2C1=O)c1cc(O)ccc1n3C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is GAHVCFYAQAESBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-20(2)8-9-22-18(24)12-5-7-15-16(17(12)19(22)25)13-10-11(23)4-6-14(13)21(15)3/h4-7,10,23H,8-9H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione?
2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 337.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 6481890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).