5-ethoxy-1H-benzo[cd]indol-2-one

C13H11NO2 — CID 23460821

IUPAC5-ethoxy-1H-benzo[cd]indol-2-one
SMILESCCOc1ccc2c3c(cccc13)NC2=O
InChIInChI=1S/C13H11NO2/c1-2-16-11-7-6-9-12-8(11)4-3-5-10(12)14-13(9)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyRQHMMAMCRFKHLK-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.80
Rot. Bonds2

About 5-ethoxy-1H-benzo[cd]indol-2-one

5-ethoxy-1H-benzo[cd]indol-2-one (PubChem CID 23460821) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-ethoxy-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name5-ethoxy-1H-benzo[cd]indol-2-one
PubChem CID23460821
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name5-ethoxy-1H-benzo[cd]indol-2-one
SMILESCCOc1ccc2c3c(cccc13)NC2=O
InChIInChI=1S/C13H11NO2/c1-2-16-11-7-6-9-12-8(11)4-3-5-10(12)14-13(9)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyRQHMMAMCRFKHLK-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one
CID 139780200
6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
CID 121316447
6-iodo-1H-benzo[cd]indol-2-one
CID 626440
5-(4-methylphenyl)sulfonyl-1H-benzo[cd]indol-2-one
CID 22759555
5-(phenyldisulfanyl)-1H-benzo[cd]indol-2-one
CID 21393376
4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene
CID 10250525
(2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 7101246
1,2-diethoxyanthracene-9,10-dione
CID 71414980
3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide
CID 1192874
5-(trifluoromethyl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-10-one
CID 54768129
(3E)-5-chloro-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1H-indol-2-one
CID 7947115
lithium;1-ethoxynaphthalene;hydride
CID 174613942

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1H-benzo[cd]indol-2-one?
The IUPAC name of 5-ethoxy-1H-benzo[cd]indol-2-one (CID 23460821) is 5-ethoxy-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 5-ethoxy-1H-benzo[cd]indol-2-one?
The canonical SMILES for 5-ethoxy-1H-benzo[cd]indol-2-one is CCOc1ccc2c3c(cccc13)NC2=O.
What is the InChIKey of 5-ethoxy-1H-benzo[cd]indol-2-one?
The InChIKey is RQHMMAMCRFKHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-2-16-11-7-6-9-12-8(11)4-3-5-10(12)14-13(9)15/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 5-ethoxy-1H-benzo[cd]indol-2-one?
5-ethoxy-1H-benzo[cd]indol-2-one has a molecular weight of 213.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 23460821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).