5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol

C22H18N2O4 — CID 139054926

IUPAC5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol
SMILESCO.Cn1c2ccccc2c2c(O)cc3c(c21)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C21H14N2O3.CH4O/c1-22-15-10-6-5-9-13(15)17-16(24)11-14-18(19(17)22)21(26)23(20(14)25)12-7-3-2-4-8-12;1-2/h2-11,24H,1H3;2H,1H3
InChIKeyMPZMNOCJFAAKTK-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.45
Rot. Bonds1

About 5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol

5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol (PubChem CID 139054926) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol.

Molecular Properties

Compound Name5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol
PubChem CID139054926
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol
SMILESCO.Cn1c2ccccc2c2c(O)cc3c(c21)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C21H14N2O3.CH4O/c1-22-15-10-6-5-9-13(15)17-16(24)11-14-18(19(17)22)21(26)23(20(14)25)12-7-3-2-4-8-12;1-2/h2-11,24H,1H3;2H,1H3
InChIKeyMPZMNOCJFAAKTK-UHFFFAOYSA-N
XLogP3.45
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
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 5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol?
The IUPAC name of 5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol (CID 139054926) is 5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol.
What is the SMILES notation for 5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol?
The canonical SMILES for 5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol is CO.Cn1c2ccccc2c2c(O)cc3c(c21)C(=O)N(c1ccccc1)C3=O.
What is the InChIKey of 5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol?
The InChIKey is MPZMNOCJFAAKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3.CH4O/c1-22-15-10-6-5-9-13(15)17-16(24)11-14-18(19(17)22)21(26)23(20(14)25)12-7-3-2-4-8-12;1-2/h2-11,24H,1H3;2H,1H3.
What are the key properties of 5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol?
5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol has a molecular weight of 374.40 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-10-methyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione;methanol is sourced from PubChem (CID 139054926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).