3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one

C21H19NO — CID 122228488

IUPAC3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one
SMILESCCn1c(C)c(-c2ccc(C)cc2)c2c1C(=O)c1ccccc1-2
InChIInChI=1S/C21H19NO/c1-4-22-14(3)18(15-11-9-13(2)10-12-15)19-16-7-5-6-8-17(16)21(23)20(19)22/h5-12H,4H2,1-3H3
InChIKeyPQYYKKBXVSKKRN-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.00
Rot. Bonds2

About 3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one

3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one (PubChem CID 122228488) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one
PubChem CID122228488
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one
SMILESCCn1c(C)c(-c2ccc(C)cc2)c2c1C(=O)c1ccccc1-2
InChIInChI=1S/C21H19NO/c1-4-22-14(3)18(15-11-9-13(2)10-12-15)19-16-7-5-6-8-17(16)21(23)20(19)22/h5-12H,4H2,1-3H3
InChIKeyPQYYKKBXVSKKRN-UHFFFAOYSA-N
XLogP5.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_I(2)', 'substructure': 'N/A'}

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Related Compounds

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CID 141466102
1,2-diethyl-3-propanoylbenzo[f]indole-4,9-dione
CID 101075588
3-ethoxy-5-ethyl-1-methylbenzo[b]carbazole-6,11-dione
CID 71416406
ethyl 3-benzyl-2-methyl-4-oxoindeno[2,1-b]pyrrole-1-carboxylate
CID 14341438
anthracene-9,10-dione;propane
CID 162068050
3-butyl-1-ethyl-2-methylbenzo[f]benzimidazol-3-ium-4,9-dione
CID 155514001
2-amino-3-(4-methylphenyl)benzo[f][1]benzofuran-4,9-dione
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2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
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9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
[(2R)-2-(1,3-dioxoisoindol-2-yl)propyl] 4-methylbenzenesulfonate
CID 13477642
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one?
The IUPAC name of 3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one (CID 122228488) is 3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one?
The canonical SMILES for 3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one is CCn1c(C)c(-c2ccc(C)cc2)c2c1C(=O)c1ccccc1-2.
What is the InChIKey of 3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one?
The InChIKey is PQYYKKBXVSKKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-4-22-14(3)18(15-11-9-13(2)10-12-15)19-16-7-5-6-8-17(16)21(23)20(19)22/h5-12H,4H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one?
3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one has a molecular weight of 301.39 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1-(4-methylphenyl)indeno[2,1-b]pyrrol-4-one is sourced from PubChem (CID 122228488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).