1-(thiophene-2-carbonyl)benzo[cd]indol-2-one

C16H9NO2S — CID 2243529

IUPAC1-(thiophene-2-carbonyl)benzo[cd]indol-2-one
SMILESO=C(c1cccs1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H9NO2S/c18-15-11-6-1-4-10-5-2-7-12(14(10)11)17(15)16(19)13-8-3-9-20-13/h1-9H
InChIKeyYEYXXMIZOTYIGN-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.70
Rot. Bonds1

About 1-(thiophene-2-carbonyl)benzo[cd]indol-2-one

1-(thiophene-2-carbonyl)benzo[cd]indol-2-one (PubChem CID 2243529) has the molecular formula C16H9NO2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)benzo[cd]indol-2-one
PubChem CID2243529
Molecular FormulaC16H9NO2S
Molecular Weight279.32 g/mol
Exact Mass279.04
IUPAC Name1-(thiophene-2-carbonyl)benzo[cd]indol-2-one
SMILESO=C(c1cccs1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H9NO2S/c18-15-11-6-1-4-10-5-2-7-12(14(10)11)17(15)16(19)13-8-3-9-20-13/h1-9H
InChIKeyYEYXXMIZOTYIGN-UHFFFAOYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one
CID 977927
2a-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1-methyl-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 11740526
2a-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1-ethyl-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 18377388
N-((2-Oxo-1,2-dihydrobenzo[cd]indol-6-yl)methyl)thiophene-2-carboxamide
CID 696714
N-(2-keto-1H-benzo[cd]indol-6-yl)thiophene-2-sulfonamide
CID 2347707
N-(1-benzothiophen-5-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 3632857
2a-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1-(111C)methyl-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 11143387
(3E)-2-phenyl-3-(1-thiophen-3-ylhex-1-yn-3-ylidene)isoindol-1-one
CID 25058252
N-[4-[(Z)-[2-oxo-5-(thiophene-2-carbonyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide
CID 44336174
2a-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentyl]-1-(111C)methyl-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 73347582
N-(1,3-dioxo-2-phenyl-5-isoindolyl)-2-thiophenecarboxamide
CID 671729
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide
CID 127033172

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)benzo[cd]indol-2-one?
The IUPAC name of 1-(thiophene-2-carbonyl)benzo[cd]indol-2-one (CID 2243529) is 1-(thiophene-2-carbonyl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(thiophene-2-carbonyl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(thiophene-2-carbonyl)benzo[cd]indol-2-one is O=C(c1cccs1)N1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-(thiophene-2-carbonyl)benzo[cd]indol-2-one?
The InChIKey is YEYXXMIZOTYIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO2S/c18-15-11-6-1-4-10-5-2-7-12(14(10)11)17(15)16(19)13-8-3-9-20-13/h1-9H.
What are the key properties of 1-(thiophene-2-carbonyl)benzo[cd]indol-2-one?
1-(thiophene-2-carbonyl)benzo[cd]indol-2-one has a molecular weight of 279.32 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)benzo[cd]indol-2-one is sourced from PubChem (CID 2243529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).