2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione

C18H16N2O3S — CID 630992

IUPAC2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione
SMILESCSc1cc2c(c3c1c1ccccc1n3C)C(=O)N(CCO)C2=O
InChIInChI=1S/C18H16N2O3S/c1-19-12-6-4-3-5-10(12)14-13(24-2)9-11-15(16(14)19)18(23)20(7-8-21)17(11)22/h3-6,9,21H,7-8H2,1-2H3
InChIKeyGQCQRYKWKRMNNA-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione

2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione (PubChem CID 630992) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione
PubChem CID630992
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione
SMILESCSc1cc2c(c3c1c1ccccc1n3C)C(=O)N(CCO)C2=O
InChIInChI=1S/C18H16N2O3S/c1-19-12-6-4-3-5-10(12)14-13(24-2)9-11-15(16(14)19)18(23)20(7-8-21)17(11)22/h3-6,9,21H,7-8H2,1-2H3
InChIKeyGQCQRYKWKRMNNA-UHFFFAOYSA-N
XLogP2.64
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.64
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-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione?
The IUPAC name of 2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione (CID 630992) is 2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione is CSc1cc2c(c3c1c1ccccc1n3C)C(=O)N(CCO)C2=O.
What is the InChIKey of 2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione?
The InChIKey is GQCQRYKWKRMNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-19-12-6-4-3-5-10(12)14-13(24-2)9-11-15(16(14)19)18(23)20(7-8-21)17(11)22/h3-6,9,21H,7-8H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione?
2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione has a molecular weight of 340.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-10-methyl-5-methylsulfanylpyrrolo[3,4-a]carbazole-1,3-dione is sourced from PubChem (CID 630992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).