5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C16H14ClNOS — CID 71200848

IUPAC5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCc1ccc(C2CC23C(=O)Nc2ccc(Cl)cc23)s1
InChIInChI=1S/C16H14ClNOS/c1-2-10-4-6-14(20-10)12-8-16(12)11-7-9(17)3-5-13(11)18-15(16)19/h3-7,12H,2,8H2,1H3,(H,18,19)
InChIKeyZDQBFTVOICSSNR-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.34
Rot. Bonds2

About 5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 71200848) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID71200848
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCCc1ccc(C2CC23C(=O)Nc2ccc(Cl)cc23)s1
InChIInChI=1S/C16H14ClNOS/c1-2-10-4-6-14(20-10)12-8-16(12)11-7-9(17)3-5-13(11)18-15(16)19/h3-7,12H,2,8H2,1H3,(H,18,19)
InChIKeyZDQBFTVOICSSNR-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956368
2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 90935335
(2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956370
5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 71200943
(2'S,3R)-5-chloro-2'-(3-iodo-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 68790188
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 77252133
(2'S,3S)-5-chloro-2'-[6-(3-oxobut-1-enyl)-2-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956399
(2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956371
(4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one
CID 130731723
5-chlorospiro[1H-indole-3,4'-oxane]-2-one
CID 106701967
(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915747

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 71200848) is 5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is CCc1ccc(C2CC23C(=O)Nc2ccc(Cl)cc23)s1.
What is the InChIKey of 5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is ZDQBFTVOICSSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c1-2-10-4-6-14(20-10)12-8-16(12)11-7-9(17)3-5-13(11)18-15(16)19/h3-7,12H,2,8H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 303.81 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 71200848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).