3-ethoxy-2-methyl-9H-carbazole-1,4-dione

C15H13NO3 — CID 15458383

IUPAC3-ethoxy-2-methyl-9H-carbazole-1,4-dione
SMILESCCOC1=C(C)C(=O)c2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C15H13NO3/c1-3-19-15-8(2)13(17)12-11(14(15)18)9-6-4-5-7-10(9)16-12/h4-7,16H,3H2,1-2H3
InChIKeyOFLGQHWRWLPFIP-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.86
Rot. Bonds2

About 3-ethoxy-2-methyl-9H-carbazole-1,4-dione

3-ethoxy-2-methyl-9H-carbazole-1,4-dione (PubChem CID 15458383) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-ethoxy-2-methyl-9H-carbazole-1,4-dione.

Molecular Properties

Compound Name3-ethoxy-2-methyl-9H-carbazole-1,4-dione
PubChem CID15458383
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-ethoxy-2-methyl-9H-carbazole-1,4-dione
SMILESCCOC1=C(C)C(=O)c2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C15H13NO3/c1-3-19-15-8(2)13(17)12-11(14(15)18)9-6-4-5-7-10(9)16-12/h4-7,16H,3H2,1-2H3
InChIKeyOFLGQHWRWLPFIP-UHFFFAOYSA-N
XLogP2.86
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-9H-carbazole-3,4-dione
CID 15817402
2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione
CID 11807923
7H-benzo[c]carbazole-5,6-dione
CID 11207363
5H-indeno[1,2-b]indol-10-one
CID 2785776
5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole
CID 116864878
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione
CID 11043317
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione
CID 11779161
7-methoxy-5H-indeno[2,1-b]indol-6-one
CID 10444743
3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one
CID 141273048
bis(9H-carbazole);propane
CID 90987002

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methyl-9H-carbazole-1,4-dione?
The IUPAC name of 3-ethoxy-2-methyl-9H-carbazole-1,4-dione (CID 15458383) is 3-ethoxy-2-methyl-9H-carbazole-1,4-dione.
What is the SMILES notation for 3-ethoxy-2-methyl-9H-carbazole-1,4-dione?
The canonical SMILES for 3-ethoxy-2-methyl-9H-carbazole-1,4-dione is CCOC1=C(C)C(=O)c2[nH]c3ccccc3c2C1=O.
What is the InChIKey of 3-ethoxy-2-methyl-9H-carbazole-1,4-dione?
The InChIKey is OFLGQHWRWLPFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-3-19-15-8(2)13(17)12-11(14(15)18)9-6-4-5-7-10(9)16-12/h4-7,16H,3H2,1-2H3.
What are the key properties of 3-ethoxy-2-methyl-9H-carbazole-1,4-dione?
3-ethoxy-2-methyl-9H-carbazole-1,4-dione has a molecular weight of 255.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methyl-9H-carbazole-1,4-dione is sourced from PubChem (CID 15458383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).